4-methyl-3-[(2-oxo-1H-pyridine-4-carbonyl)amino]pentanoic acid

C12H16N2O4 — CID 114039670

IUPAC4-methyl-3-[(2-oxo-1H-pyridine-4-carbonyl)amino]pentanoic acid
SMILESCC(C)C(CC(=O)O)NC(=O)c1cc[nH]c(=O)c1
InChIInChI=1S/C12H16N2O4/c1-7(2)9(6-11(16)17)14-12(18)8-3-4-13-10(15)5-8/h3-5,7,9H,6H2,1-2H3,(H,13,15)(H,14,18)(H,16,17)
InChIKeySPEOOKJKQSLQTG-UHFFFAOYSA-N
MW252.27 g/mol
LogP0.60
Rot. Bonds5

About 4-methyl-3-[(2-oxo-1H-pyridine-4-carbonyl)amino]pentanoic acid

4-methyl-3-[(2-oxo-1H-pyridine-4-carbonyl)amino]pentanoic acid (PubChem CID 114039670) has the molecular formula C12H16N2O4 and a molecular weight of 252.27 g/mol. Its IUPAC name is 4-methyl-3-[(2-oxo-1H-pyridine-4-carbonyl)amino]pentanoic acid.

Molecular Properties

Compound Name4-methyl-3-[(2-oxo-1H-pyridine-4-carbonyl)amino]pentanoic acid
PubChem CID114039670
Molecular FormulaC12H16N2O4
Molecular Weight252.27 g/mol
Exact Mass252.11
IUPAC Name4-methyl-3-[(2-oxo-1H-pyridine-4-carbonyl)amino]pentanoic acid
SMILESCC(C)C(CC(=O)O)NC(=O)c1cc[nH]c(=O)c1
InChIInChI=1S/C12H16N2O4/c1-7(2)9(6-11(16)17)14-12(18)8-3-4-13-10(15)5-8/h3-5,7,9H,6H2,1-2H3,(H,13,15)(H,14,18)(H,16,17)
InChIKeySPEOOKJKQSLQTG-UHFFFAOYSA-N
XLogP0.60
TPSA99.26 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.27
LogP ≤ 50.60
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-methylbutan-2-yl)-2-oxo-1H-pyridine-4-carboxamide
CID 103762776
N-(4-methylpentan-2-yl)-2-oxo-1H-pyridine-4-carboxamide
CID 103839182
N-(1,3-dihydroxypropan-2-yl)-2-oxo-1H-pyridine-4-carboxamide
CID 104580697
N-[1-(4-fluorophenyl)-2-methylpropyl]-2-oxo-1H-pyridine-4-carboxamide
CID 103763621
(2S,3S)-3-methyl-2-[(2-oxo-1H-pyridine-4-carbonyl)amino]pentanoic acid
CID 103850155
3-methyl-2-[[(2-oxo-1H-pyridine-4-carbonyl)amino]methyl]butanoic acid
CID 114039657
N-(1-cyanopropan-2-yl)-2-oxo-1H-pyridine-4-carboxamide
CID 103764863
3-[(2-oxo-1H-pyridine-4-carbonyl)amino]-3-thiophen-2-ylpropanoic acid
CID 106703085
N-[1-(4-chloro-2-fluorophenyl)-2-methylpropyl]-2-oxo-1H-pyridine-4-carboxamide
CID 75519384
N-[4-(furan-2-yl)butan-2-yl]-2-oxo-1H-pyridine-4-carboxamide
CID 103763430
N-(1-hydroxy-3-methylbutan-2-yl)-2H-benzotriazole-5-carboxamide
CID 79252072
N-(1-cyclohexylpropyl)-2-oxo-1H-pyridine-4-carboxamide
CID 103765034

Frequently Asked Questions

What is the IUPAC name of 4-methyl-3-[(2-oxo-1H-pyridine-4-carbonyl)amino]pentanoic acid?
The IUPAC name of 4-methyl-3-[(2-oxo-1H-pyridine-4-carbonyl)amino]pentanoic acid (CID 114039670) is 4-methyl-3-[(2-oxo-1H-pyridine-4-carbonyl)amino]pentanoic acid.
What is the SMILES notation for 4-methyl-3-[(2-oxo-1H-pyridine-4-carbonyl)amino]pentanoic acid?
The canonical SMILES for 4-methyl-3-[(2-oxo-1H-pyridine-4-carbonyl)amino]pentanoic acid is CC(C)C(CC(=O)O)NC(=O)c1cc[nH]c(=O)c1.
What is the InChIKey of 4-methyl-3-[(2-oxo-1H-pyridine-4-carbonyl)amino]pentanoic acid?
The InChIKey is SPEOOKJKQSLQTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O4/c1-7(2)9(6-11(16)17)14-12(18)8-3-4-13-10(15)5-8/h3-5,7,9H,6H2,1-2H3,(H,13,15)(H,14,18)(H,16,17).
What are the key properties of 4-methyl-3-[(2-oxo-1H-pyridine-4-carbonyl)amino]pentanoic acid?
4-methyl-3-[(2-oxo-1H-pyridine-4-carbonyl)amino]pentanoic acid has a molecular weight of 252.27 g/mol, XLogP of 0.60, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-3-[(2-oxo-1H-pyridine-4-carbonyl)amino]pentanoic acid is sourced from PubChem (CID 114039670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).