4-methyl-4-[(6-oxo-1H-pyridine-2-carbonyl)amino]pentanoic acid

C12H16N2O4 — CID 114040071

IUPAC4-methyl-4-[(6-oxo-1H-pyridine-2-carbonyl)amino]pentanoic acid
SMILESCC(C)(CCC(=O)O)NC(=O)c1cccc(=O)[nH]1
InChIInChI=1S/C12H16N2O4/c1-12(2,7-6-10(16)17)14-11(18)8-4-3-5-9(15)13-8/h3-5H,6-7H2,1-2H3,(H,13,15)(H,14,18)(H,16,17)
InChIKeyMBNCFUMWKFUGTN-UHFFFAOYSA-N
MW252.27 g/mol
LogP0.75
Rot. Bonds5

About 4-methyl-4-[(6-oxo-1H-pyridine-2-carbonyl)amino]pentanoic acid

4-methyl-4-[(6-oxo-1H-pyridine-2-carbonyl)amino]pentanoic acid (PubChem CID 114040071) has the molecular formula C12H16N2O4 and a molecular weight of 252.27 g/mol. Its IUPAC name is 4-methyl-4-[(6-oxo-1H-pyridine-2-carbonyl)amino]pentanoic acid.

Molecular Properties

Compound Name4-methyl-4-[(6-oxo-1H-pyridine-2-carbonyl)amino]pentanoic acid
PubChem CID114040071
Molecular FormulaC12H16N2O4
Molecular Weight252.27 g/mol
Exact Mass252.11
IUPAC Name4-methyl-4-[(6-oxo-1H-pyridine-2-carbonyl)amino]pentanoic acid
SMILESCC(C)(CCC(=O)O)NC(=O)c1cccc(=O)[nH]1
InChIInChI=1S/C12H16N2O4/c1-12(2,7-6-10(16)17)14-11(18)8-4-3-5-9(15)13-8/h3-5H,6-7H2,1-2H3,(H,13,15)(H,14,18)(H,16,17)
InChIKeyMBNCFUMWKFUGTN-UHFFFAOYSA-N
XLogP0.75
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 ≤ 50.75
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2,2,4-Trimethyl-4-[[2-methyl-2-(prop-2-enoylamino)propanoyl]amino]pentanoic acid
CID 118000198
4-[[2-(5-Bromo-2-oxo-1-pyridinyl)acetyl]amino]-4-methylpentanoic acid
CID 62042634
4-[(2-hydroxy-6-oxo-1H-pyridine-4-carbonyl)amino]-4-methylpentanoic acid
CID 62043266
4-[(2,4-dioxo-1H-pyrimidine-6-carbonyl)amino]-4-methylpentanoic acid
CID 62044591
4-(Hexa-2,4-dienoylamino)-4-methylpentanoic acid
CID 76931808
4-[[2-Methyl-2-(2-methyl-6-oxo-1-pyridinyl)propanoyl]amino]butanoic acid
CID 82031618
methyl 2-methyl-2-[(6-oxo-1H-pyridine-2-carbonyl)amino]pentanoate
CID 107362962
2-cyclopropyl-2-[(6-oxo-1H-pyridine-2-carbonyl)amino]propanoic acid
CID 108107701
(2S)-4-methyl-2-[(6-oxo-1H-pyridine-2-carbonyl)amino]pentanoic acid
CID 108107750
4-[(6-oxo-1H-pyridine-2-carbonyl)amino]pentanoic acid
CID 108107832
3-methyl-3-[(6-oxo-1H-pyridine-2-carbonyl)amino]butanoic acid
CID 108107848
2-methyl-2-[(6-oxo-1H-pyridine-2-carbonyl)amino]butanoic acid
CID 108107894

Frequently Asked Questions

What is the IUPAC name of 4-methyl-4-[(6-oxo-1H-pyridine-2-carbonyl)amino]pentanoic acid?
The IUPAC name of 4-methyl-4-[(6-oxo-1H-pyridine-2-carbonyl)amino]pentanoic acid (CID 114040071) is 4-methyl-4-[(6-oxo-1H-pyridine-2-carbonyl)amino]pentanoic acid.
What is the SMILES notation for 4-methyl-4-[(6-oxo-1H-pyridine-2-carbonyl)amino]pentanoic acid?
The canonical SMILES for 4-methyl-4-[(6-oxo-1H-pyridine-2-carbonyl)amino]pentanoic acid is CC(C)(CCC(=O)O)NC(=O)c1cccc(=O)[nH]1.
What is the InChIKey of 4-methyl-4-[(6-oxo-1H-pyridine-2-carbonyl)amino]pentanoic acid?
The InChIKey is MBNCFUMWKFUGTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O4/c1-12(2,7-6-10(16)17)14-11(18)8-4-3-5-9(15)13-8/h3-5H,6-7H2,1-2H3,(H,13,15)(H,14,18)(H,16,17).
What are the key properties of 4-methyl-4-[(6-oxo-1H-pyridine-2-carbonyl)amino]pentanoic acid?
4-methyl-4-[(6-oxo-1H-pyridine-2-carbonyl)amino]pentanoic acid has a molecular weight of 252.27 g/mol, XLogP of 0.75, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-4-[(6-oxo-1H-pyridine-2-carbonyl)amino]pentanoic acid is sourced from PubChem (CID 114040071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).