2-methyl-4-[3-(2-oxo-1-pyridinyl)propanoylamino]butanoic acid

C13H18N2O4 — CID 80539147

IUPAC2-methyl-4-[3-(2-oxo-1-pyridinyl)propanoylamino]butanoic acid
SMILESCC(CCNC(=O)CCn1ccccc1=O)C(=O)O
InChIInChI=1S/C13H18N2O4/c1-10(13(18)19)5-7-14-11(16)6-9-15-8-3-2-4-12(15)17/h2-4,8,10H,5-7,9H2,1H3,(H,14,16)(H,18,19)
InChIKeyQABKOPVUUPJKPO-UHFFFAOYSA-N
MW266.30 g/mol
LogP0.47
Rot. Bonds7

About 2-methyl-4-[3-(2-oxo-1-pyridinyl)propanoylamino]butanoic acid

2-methyl-4-[3-(2-oxo-1-pyridinyl)propanoylamino]butanoic acid (PubChem CID 80539147) has the molecular formula C13H18N2O4 and a molecular weight of 266.30 g/mol. Its IUPAC name is 2-methyl-4-[3-(2-oxo-1-pyridinyl)propanoylamino]butanoic acid.

Molecular Properties

Compound Name2-methyl-4-[3-(2-oxo-1-pyridinyl)propanoylamino]butanoic acid
PubChem CID80539147
Molecular FormulaC13H18N2O4
Molecular Weight266.30 g/mol
Exact Mass266.13
IUPAC Name2-methyl-4-[3-(2-oxo-1-pyridinyl)propanoylamino]butanoic acid
SMILESCC(CCNC(=O)CCn1ccccc1=O)C(=O)O
InChIInChI=1S/C13H18N2O4/c1-10(13(18)19)5-7-14-11(16)6-9-15-8-3-2-4-12(15)17/h2-4,8,10H,5-7,9H2,1H3,(H,14,16)(H,18,19)
InChIKeyQABKOPVUUPJKPO-UHFFFAOYSA-N
XLogP0.47
TPSA88.40 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.30
LogP ≤ 50.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-methyl-5-[3-(2-oxo-1-pyridinyl)propanoylamino]pentanoic acid
CID 104681861
3-methyl-4-[3-(2-oxo-1-pyridinyl)propanoylamino]butanoic acid
CID 81063006
(2S)-4-methylsulfanyl-2-[3-(2-oxo-1-pyridinyl)propanoylamino]butanoic acid
CID 61152547
N-(2-aminoethyl)-4-(2-oxo-1-pyridinyl)butanamide
CID 82031758
2-methyl-3-(2-oxo-1-pyridinyl)propanoic acid
CID 60773689
N-(3-hydroxy-2,2,4-trimethylpentyl)-3-(2-oxo-1-pyridinyl)propanamide
CID 109381038
N-[(1S)-2-hydroxy-1-phenylethyl]-3-(2-oxo-1-pyridinyl)propanamide
CID 103945268
N-(3-hydroxy-4-methylpentyl)-2-(2-oxo-1-pyridinyl)acetamide
CID 111460901
3-(2-oxo-1-pyridinyl)propanehydrazide
CID 43346089
2,2-dimethyl-3-[3-(2-oxo-1-pyridinyl)propanoylamino]propanamide
CID 86996735
1-(3-hydroxybutyl)-3-[4-(2-oxo-1-pyridinyl)butyl]urea
CID 111338596
N-[[2-(hydroxymethyl)phenyl]methyl]-3-(2-oxo-1-pyridinyl)propanamide
CID 110908908

Frequently Asked Questions

What is the IUPAC name of 2-methyl-4-[3-(2-oxo-1-pyridinyl)propanoylamino]butanoic acid?
The IUPAC name of 2-methyl-4-[3-(2-oxo-1-pyridinyl)propanoylamino]butanoic acid (CID 80539147) is 2-methyl-4-[3-(2-oxo-1-pyridinyl)propanoylamino]butanoic acid.
What is the SMILES notation for 2-methyl-4-[3-(2-oxo-1-pyridinyl)propanoylamino]butanoic acid?
The canonical SMILES for 2-methyl-4-[3-(2-oxo-1-pyridinyl)propanoylamino]butanoic acid is CC(CCNC(=O)CCn1ccccc1=O)C(=O)O.
What is the InChIKey of 2-methyl-4-[3-(2-oxo-1-pyridinyl)propanoylamino]butanoic acid?
The InChIKey is QABKOPVUUPJKPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O4/c1-10(13(18)19)5-7-14-11(16)6-9-15-8-3-2-4-12(15)17/h2-4,8,10H,5-7,9H2,1H3,(H,14,16)(H,18,19).
What are the key properties of 2-methyl-4-[3-(2-oxo-1-pyridinyl)propanoylamino]butanoic acid?
2-methyl-4-[3-(2-oxo-1-pyridinyl)propanoylamino]butanoic acid has a molecular weight of 266.30 g/mol, XLogP of 0.47, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4-[3-(2-oxo-1-pyridinyl)propanoylamino]butanoic acid is sourced from PubChem (CID 80539147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).