BioLiP

PDB

BioLiP

PDB CCD ID:

VU5

Number of entries in BioLiP:

Chemical formula:

C8 H16 N2 O2

InChI:

InChI=1S/C8H16N2O2/c1-9-5-7(11)6-10-4-2-3-8(10)12/h7,9,11H,2-6H2,1H3/t7-/m0/s1

InChIKey:

ZMESCLLKMGZIBU-ZETCQYMHSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 2.0.7	CNCC(CN1CCCC1=O)O
CACTVS 3.385	CNC[CH](O)CN1CCCC1=O
ACDLabs 12.01	O=C1CCCN1CC(O)CNC
OpenEye OEToolkits 2.0.7	CNC[C@@H](CN1CCCC1=O)O
CACTVS 3.385	CNC[C@H](O)CN1CCCC1=O

Name:

1-[(2S)-2-hydroxy-3-(methylamino)propyl]pyrrolidin-2-one

ZINC:

ZINC000019864193

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).