BioLiP

PDB

BioLiP

PDB CCD ID:

OWA

Number of entries in BioLiP:

Chemical formula:

C8 H13 N O3

InChI:

InChI=1S/C8H13NO3/c1-9-5-6(3-7(9)10)4-8(11)12-2/h6H,3-5H2,1-2H3/t6-/m1/s1

InChIKey:

CYBLSPQZUAXOJS-ZCFIWIBFSA-N

SMILES:

Software	SMILES
CACTVS 3.385	COC(=O)C[C@@H]1CN(C)C(=O)C1
OpenEye OEToolkits 2.0.7	CN1CC(CC1=O)CC(=O)OC
ACDLabs 12.01	C1(N(C)CC(CC(OC)=O)C1)=O
OpenEye OEToolkits 2.0.7	CN1C[C@H](CC1=O)CC(=O)OC
CACTVS 3.385	COC(=O)C[CH]1CN(C)C(=O)C1

Name:

methyl [(3R)-1-methyl-5-oxopyrrolidin-3-yl]acetate

ZINC:

ZINC000217776345

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).