BioLiP

PDB

BioLiP

PDB CCD ID:

8QR

Number of entries in BioLiP:

Chemical formula:

C4 H8 N2 O

InChI:

InChI=1S/C4H8N2O/c5-3-1-2-6-4(3)7/h3H,1-2,5H2,(H,6,7)/t3-/m1/s1

InChIKey:

YNDAMDVOGKACTP-GSVOUGTGSA-N

SMILES:

Software	SMILES
CACTVS 3.385	N[C@@H]1CCNC1=O
OpenEye OEToolkits 2.0.7	C1CNC(=O)[C@@H]1N
OpenEye OEToolkits 2.0.7	C1CNC(=O)C1N
CACTVS 3.385	N[CH]1CCNC1=O

Name:

(3R)-3-aminopyrrolidin-2-one;
(3R)-3-azanylpyrrolidin-2-one

ZINC:

ZINC000019737051

Reference:

Chengxin Zhang, Xi Zhang, Lydia Freddolino, and Yang Zhang. BioLiP2: an updated structure database for biologically relevent ligand-protein interactions, Nucleic Acids Research, gkad630 (2023).

Jianyi Yang, Ambrish Roy, and Yang Zhang. BioLiP: a semi-manually curated database for biologically relevant ligand-protein interactions, Nucleic Acids Research, 41: D1096-D1103 (2013) (download the PDF file).