3-[(2S,3R)-3-amino-4-oxo-4-pyrrolidin-1-ylbutan-2-yl]-1H-pyridin-2-one

C13H19N3O2 — CID 58017366

IUPAC3-[(2S,3R)-3-amino-4-oxo-4-pyrrolidin-1-ylbutan-2-yl]-1H-pyridin-2-one
SMILESC[C@@H](c1ccc[nH]c1=O)[C@@H](N)C(=O)N1CCCC1
InChIInChI=1S/C13H19N3O2/c1-9(10-5-4-6-15-12(10)17)11(14)13(18)16-7-2-3-8-16/h4-6,9,11H,2-3,7-8,14H2,1H3,(H,15,17)/t9-,11+/m0/s1
InChIKeyCMPJCBWQPITRJF-GXSJLCMTSA-N
MW249.31 g/mol
LogP0.43
Rot. Bonds3

About 3-[(2S,3R)-3-amino-4-oxo-4-pyrrolidin-1-ylbutan-2-yl]-1H-pyridin-2-one

3-[(2S,3R)-3-amino-4-oxo-4-pyrrolidin-1-ylbutan-2-yl]-1H-pyridin-2-one (PubChem CID 58017366) has the molecular formula C13H19N3O2 and a molecular weight of 249.31 g/mol. Its IUPAC name is 3-[(2S,3R)-3-amino-4-oxo-4-pyrrolidin-1-ylbutan-2-yl]-1H-pyridin-2-one.

Molecular Properties

Compound Name3-[(2S,3R)-3-amino-4-oxo-4-pyrrolidin-1-ylbutan-2-yl]-1H-pyridin-2-one
PubChem CID58017366
Molecular FormulaC13H19N3O2
Molecular Weight249.31 g/mol
Exact Mass249.15
IUPAC Name3-[(2S,3R)-3-amino-4-oxo-4-pyrrolidin-1-ylbutan-2-yl]-1H-pyridin-2-one
SMILESC[C@@H](c1ccc[nH]c1=O)[C@@H](N)C(=O)N1CCCC1
InChIInChI=1S/C13H19N3O2/c1-9(10-5-4-6-15-12(10)17)11(14)13(18)16-7-2-3-8-16/h4-6,9,11H,2-3,7-8,14H2,1H3,(H,15,17)/t9-,11+/m0/s1
InChIKeyCMPJCBWQPITRJF-GXSJLCMTSA-N
XLogP0.43
TPSA79.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.31
LogP ≤ 50.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 3-[(2S,3R)-3-amino-4-oxo-4-pyrrolidin-1-ylbutan-2-yl]-1H-pyridin-2-one with MolForge

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Related Compounds

N-{(3R,5S)-1-acetyl-5-[(diethylamino)carbonyl]pyrrolidin-3-yl}-1-ethyl-2-oxo-1,2-dihydropyridine-4-carboxamide
CID 72857517
(2S,4R)-4-amino-N-methyl-1-{[2-oxo-5-(trifluoromethyl)pyridin-1(2H)-yl]acetyl}pyrrolidine-2-carboxamide
CID 56701389
N-[2-(dimethylamino)-3-ethylpentyl]-6-oxo-1H-pyridine-3-carboxamide
CID 56808777
N-[[3-fluoro-2-(trifluoromethyl)cyclohexa-2,4-dien-1-yl]methyl]-1-methyl-5-oxopyrrolidine-2-carboxamide
CID 67889641
(4S)-4-amino-N-methyl-1-{[2-oxo-5-(trifluoromethyl)pyridin-1(2H)-yl]acetyl}-L-prolinamide
CID 56718753
1-methyl-N-[[6-methyl-5-(trifluoromethyl)cyclohexa-1,3-dien-1-yl]methyl]-5-oxopyrrolidine-2-carboxamide
CID 162555050
(4S)-4-amino-N-ethyl-1-[(6-isopropyl-1-methyl-2-oxo-1,2-dihydropyridin-3-yl)carbonyl]-L-prolinamide
CID 56703341
(2S,4S)-4-amino-N,N-diethyl-1-[(6-oxo-1,6-dihydropyridin-3-yl)carbonyl]pyrrolidine-2-carboxamide
CID 56703508
5-(6-Hydroxypyridin-3-yl)-1-methylpyrrolidin-2-one
CID 22073666
3-(Pyrrolidin-3-yl)pyridin-2-ol
CID 22104921
5-[(2S)-1-methyl-5-oxopyrrolidin-2-yl]-1H-pyridin-2-one
CID 54270665
3-(5-Ethyl-1-oxo-3,5-dihydrocyclohepta[c]pyrrol-2-yl)piperidine-2,6-dione
CID 58623661

Frequently Asked Questions

What is the IUPAC name of 3-[(2S,3R)-3-amino-4-oxo-4-pyrrolidin-1-ylbutan-2-yl]-1H-pyridin-2-one?
The IUPAC name of 3-[(2S,3R)-3-amino-4-oxo-4-pyrrolidin-1-ylbutan-2-yl]-1H-pyridin-2-one (CID 58017366) is 3-[(2S,3R)-3-amino-4-oxo-4-pyrrolidin-1-ylbutan-2-yl]-1H-pyridin-2-one.
What is the SMILES notation for 3-[(2S,3R)-3-amino-4-oxo-4-pyrrolidin-1-ylbutan-2-yl]-1H-pyridin-2-one?
The canonical SMILES for 3-[(2S,3R)-3-amino-4-oxo-4-pyrrolidin-1-ylbutan-2-yl]-1H-pyridin-2-one is C[C@@H](c1ccc[nH]c1=O)[C@@H](N)C(=O)N1CCCC1.
What is the InChIKey of 3-[(2S,3R)-3-amino-4-oxo-4-pyrrolidin-1-ylbutan-2-yl]-1H-pyridin-2-one?
The InChIKey is CMPJCBWQPITRJF-GXSJLCMTSA-N. The full InChI is InChI=1S/C13H19N3O2/c1-9(10-5-4-6-15-12(10)17)11(14)13(18)16-7-2-3-8-16/h4-6,9,11H,2-3,7-8,14H2,1H3,(H,15,17)/t9-,11+/m0/s1.
What are the key properties of 3-[(2S,3R)-3-amino-4-oxo-4-pyrrolidin-1-ylbutan-2-yl]-1H-pyridin-2-one?
3-[(2S,3R)-3-amino-4-oxo-4-pyrrolidin-1-ylbutan-2-yl]-1H-pyridin-2-one has a molecular weight of 249.31 g/mol, XLogP of 0.43, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2S,3R)-3-amino-4-oxo-4-pyrrolidin-1-ylbutan-2-yl]-1H-pyridin-2-one is sourced from PubChem (CID 58017366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).