data_1AC
# 
_chem_comp.id                                    1AC 
_chem_comp.name                                  "1-AMINOCYCLOPROPANECARBOXYLIC ACID" 
_chem_comp.type                                  NON-POLYMER 
_chem_comp.pdbx_type                             ATOMP 
_chem_comp.formula                               "C4 H7 N O2" 
_chem_comp.mon_nstd_parent_comp_id               ? 
_chem_comp.pdbx_synonyms                         ? 
_chem_comp.pdbx_formal_charge                    0 
_chem_comp.pdbx_initial_date                     2002-11-27 
_chem_comp.pdbx_modified_date                    2008-12-22
_chem_comp.pdbx_ambiguous_flag                   N 
_chem_comp.pdbx_release_status                   REL 
_chem_comp.pdbx_replaced_by                      ? 
_chem_comp.pdbx_replaces                         ? 
_chem_comp.formula_weight                        101.104 
_chem_comp.one_letter_code                       ? 
_chem_comp.three_letter_code                     1AC 
_chem_comp.pdbx_model_coordinates_details        ? 
_chem_comp.pdbx_model_coordinates_missing_flag   N 
_chem_comp.pdbx_ideal_coordinates_details        ? 
_chem_comp.pdbx_ideal_coordinates_missing_flag   N 
_chem_comp.pdbx_model_coordinates_db_code        1J0E 
_chem_comp.pdbx_subcomponent_list                ? 
_chem_comp.pdbx_processing_site                  RCSB 
# 
loop_
_chem_comp_atom.comp_id 
_chem_comp_atom.atom_id 
_chem_comp_atom.alt_atom_id 
_chem_comp_atom.type_symbol 
_chem_comp_atom.charge 
_chem_comp_atom.pdbx_align 
_chem_comp_atom.pdbx_aromatic_flag 
_chem_comp_atom.pdbx_leaving_atom_flag 
_chem_comp_atom.pdbx_stereo_config 
_chem_comp_atom.model_Cartn_x 
_chem_comp_atom.model_Cartn_y 
_chem_comp_atom.model_Cartn_z 
_chem_comp_atom.pdbx_model_Cartn_x_ideal 
_chem_comp_atom.pdbx_model_Cartn_y_ideal 
_chem_comp_atom.pdbx_model_Cartn_z_ideal 
_chem_comp_atom.pdbx_component_atom_id 
_chem_comp_atom.pdbx_component_comp_id 
_chem_comp_atom.pdbx_ordinal 
1AC CB  C3  C 0 1 N N N 27.620 132.057 19.631 -0.587 -0.794 -1.532 CB  1AC 1  
1AC CG  C4  C 0 1 N N N 28.283 131.710 20.957 -0.680 0.732  -1.537 CG  1AC 2  
1AC CA  C1  C 0 1 N N N 28.776 132.990 20.182 0.237  0.025  -0.538 CA  1AC 3  
1AC C   C2  C 0 1 N N N 28.411 134.451 20.735 -0.190 0.004  0.906  C   1AC 4  
1AC OXT O2  O 0 1 N Y N 29.179 135.395 20.450 0.732  -0.025 1.880  OXT 1AC 5  
1AC O   O1  O 0 1 N N N 27.377 134.596 21.417 -1.365 0.014  1.188  O   1AC 6  
1AC N   N1  N 0 1 N N N 30.147 132.949 19.494 1.685  0.113  -0.768 N   1AC 7  
1AC HB1 1H3 H 0 1 N N N 27.447 131.507 18.676 -0.055 -1.269 -2.356 HB1 1AC 8  
1AC HB2 2H3 H 0 1 N N N 26.567 132.227 19.304 -1.439 -1.350 -1.141 HB2 1AC 9  
1AC HG1 1H4 H 0 1 N N N 27.904 131.524 21.989 -1.594 1.181  -1.149 HG1 1AC 10 
1AC HG2 2H4 H 0 1 N N N 28.790 130.801 21.357 -0.210 1.262  -2.365 HG2 1AC 11 
1AC HXT H2  H 0 1 N Y N 28.962 136.260 20.777 0.457  -0.038 2.807  HXT 1AC 12 
1AC H   1H1 H 0 1 N N N 30.891 133.549 19.848 2.129  -0.402 -0.023 H   1AC 13 
1AC H2  2H1 H 0 1 N Y N 30.022 133.131 18.498 1.874  -0.389 -1.622 H2  1AC 14 
# 
loop_
_chem_comp_bond.comp_id 
_chem_comp_bond.atom_id_1 
_chem_comp_bond.atom_id_2 
_chem_comp_bond.value_order 
_chem_comp_bond.pdbx_aromatic_flag 
_chem_comp_bond.pdbx_stereo_config 
_chem_comp_bond.pdbx_ordinal 
1AC CB CG  SING N N 1  
1AC CB CA  SING N N 2  
1AC CB HB1 SING N N 3  
1AC CB HB2 SING N N 4  
1AC CG CA  SING N N 5  
1AC CG HG1 SING N N 6  
1AC CG HG2 SING N N 7  
1AC CA C   SING N N 8  
1AC CA N   SING N N 9  
1AC C  OXT SING N N 10 
1AC C  O   DOUB N N 11 
1AC OXT HXT SING N N 12 
1AC N  H   SING N N 13 
1AC N  H2  SING N N 14 
# 
loop_
_pdbx_chem_comp_descriptor.comp_id 
_pdbx_chem_comp_descriptor.type 
_pdbx_chem_comp_descriptor.program 
_pdbx_chem_comp_descriptor.program_version 
_pdbx_chem_comp_descriptor.descriptor 
1AC SMILES           ACDLabs              10.04 O=C(O)C1(N)CC1                                          
1AC InChI            InChI                1.02b InChI=1/C4H7NO2/c5-4(1-2-4)3(6)7/h1-2,5H2,(H,6,7)/f/h6H 
1AC InChIKey         InChI                1.02b PAJPWUMXBYXFCZ-BRMMOCHJCR                               
1AC SMILES_CANONICAL CACTVS               3.341 NC1(CC1)C(O)=O                                          
1AC SMILES           CACTVS               3.341 NC1(CC1)C(O)=O                                          
1AC SMILES_CANONICAL "OpenEye OEToolkits" 1.5.0 C1CC1(C(=O)O)N                                          
1AC SMILES           "OpenEye OEToolkits" 1.5.0 C1CC1(C(=O)O)N                                          
# 
loop_
_pdbx_chem_comp_identifier.comp_id 
_pdbx_chem_comp_identifier.type 
_pdbx_chem_comp_identifier.program 
_pdbx_chem_comp_identifier.program_version 
_pdbx_chem_comp_identifier.identifier 
1AC "SYSTEMATIC NAME" ACDLabs              10.04 "1-aminocyclopropanecarboxylic acid"    
1AC "SYSTEMATIC NAME" "OpenEye OEToolkits" 1.5.0 "1-aminocyclopropane-1-carboxylic acid" 
# 
