Structural Complex
Chemical ID: A1MBO
IUPAC Name: pyrrolidine-1-carboxylic acid
Formal Charge: 0
Type: non-polymer
Substructure
Substruture Type: MurckoScaffold
SMILES: C1CCNC1
InChI: InChI=1S/C4H9N/c1-2-4-5-3-1/h5H,1-4H2
InChI Key: RWRDLPDLKQPQOW-UHFFFAOYSA-N
Physiochemical Descriptor:
Formula: C5 H9 N O2
Molecular weight: 115.130
Hydrogen Bond Acceptor: 2
Hydrogen Bond Donor: 1
Rotatable Bonds: 0
Heavy Atoms: 8
Systematic name
Program Version Descriptor
OpenEye OEToolkits 2.0.7 pyrrolidine-1-carboxylic acid
Chemical Descriptors
Type Program Version Descriptor
InChI InChI 1.06 InChI=1S/C5H9NO2/c7-5(8)6-3-1-2-4-6/h1-4H2,(H,7,8)
InChIKey InChI 1.06 NYCVCXMSZNOGDH-UHFFFAOYSA-N
SMILES_CANONICAL CACTVS 3.385 OC(=O)N1CCCC1
SMILES CACTVS 3.385 OC(=O)N1CCCC1
SMILES_CANONICAL OpenEye OEToolkits 2.0.7 C1CCN(C1)C(=O)O
SMILES OpenEye OEToolkits 2.0.7 C1CCN(C1)C(=O)O
Chemical Database Mapping
Database Reference ID
PubChem 146165174,9920378
SureChEMBL 76824
Feedback Form
Name
Email
Institute
Feedback