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

C14H20N2O4 — CID 43170174

IUPAC4-methyl-2-[3-(2-oxo-1-pyridinyl)propanoylamino]pentanoic acid
SMILESCC(C)CC(NC(=O)CCn1ccccc1=O)C(=O)O
InChIInChI=1S/C14H20N2O4/c1-10(2)9-11(14(19)20)15-12(17)6-8-16-7-4-3-5-13(16)18/h3-5,7,10-11H,6,8-9H2,1-2H3,(H,15,17)(H,19,20)
InChIKeyXNRNGNPWYRNDGR-UHFFFAOYSA-N
MW280.32 g/mol
LogP0.85
Rot. Bonds7

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

4-methyl-2-[3-(2-oxo-1-pyridinyl)propanoylamino]pentanoic acid (PubChem CID 43170174) has the molecular formula C14H20N2O4 and a molecular weight of 280.32 g/mol. Its IUPAC name is 4-methyl-2-[3-(2-oxo-1-pyridinyl)propanoylamino]pentanoic acid.

Molecular Properties

Compound Name4-methyl-2-[3-(2-oxo-1-pyridinyl)propanoylamino]pentanoic acid
PubChem CID43170174
Molecular FormulaC14H20N2O4
Molecular Weight280.32 g/mol
Exact Mass280.14
IUPAC Name4-methyl-2-[3-(2-oxo-1-pyridinyl)propanoylamino]pentanoic acid
SMILESCC(C)CC(NC(=O)CCn1ccccc1=O)C(=O)O
InChIInChI=1S/C14H20N2O4/c1-10(2)9-11(14(19)20)15-12(17)6-8-16-7-4-3-5-13(16)18/h3-5,7,10-11H,6,8-9H2,1-2H3,(H,15,17)(H,19,20)
InChIKeyXNRNGNPWYRNDGR-UHFFFAOYSA-N
XLogP0.85
TPSA88.40 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.32
LogP ≤ 50.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

dapdiamide C
CID 45379389
Boletocrocin B
CID 100927522
(2R)-4-methyl-2-[[2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carbonyl]amino]pentanoic acid
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3-methyl-2-[(1-methyl-2H-pyridine-3-carbonyl)amino]butanoic acid
CID 20132031
(2S)-3-methyl-2-[(1-methyl-2H-pyridine-3-carbonyl)amino]butanoic acid
CID 54111946
2-[(2-oxo-1H-pyridine-3-carbonyl)amino]pentanedioic acid
CID 54926831
(2S,3S)-2-(hexa-2,4-dienoylamino)-3-methylpentanoic acid
CID 61132393
(2S)-2-(but-2-enoylamino)-4-methylpentanoic acid
CID 61156217
2-[(2-aminoacetyl)amino]-4-methylpentanoic acid;1-methyl-2H-pyridine-3-carboxamide
CID 67470228
(2S)-2-[(2-aminoacetyl)amino]-4-methylpentanoic acid;1-methyl-2H-pyridine-3-carboxamide
CID 67470229
(2S)-2-[(1-butyl-5,6-dimethyl-2-oxopyridine-3-carbonyl)amino]-4-methylpentanoic acid
CID 69473962
(2R)-2-[(1-butyl-5,6-dimethyl-2-oxopyridine-3-carbonyl)amino]-4-methylpentanoic acid
CID 69475542

Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-[3-(2-oxo-1-pyridinyl)propanoylamino]pentanoic acid?
The IUPAC name of 4-methyl-2-[3-(2-oxo-1-pyridinyl)propanoylamino]pentanoic acid (CID 43170174) is 4-methyl-2-[3-(2-oxo-1-pyridinyl)propanoylamino]pentanoic acid.
What is the SMILES notation for 4-methyl-2-[3-(2-oxo-1-pyridinyl)propanoylamino]pentanoic acid?
The canonical SMILES for 4-methyl-2-[3-(2-oxo-1-pyridinyl)propanoylamino]pentanoic acid is CC(C)CC(NC(=O)CCn1ccccc1=O)C(=O)O.
What is the InChIKey of 4-methyl-2-[3-(2-oxo-1-pyridinyl)propanoylamino]pentanoic acid?
The InChIKey is XNRNGNPWYRNDGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O4/c1-10(2)9-11(14(19)20)15-12(17)6-8-16-7-4-3-5-13(16)18/h3-5,7,10-11H,6,8-9H2,1-2H3,(H,15,17)(H,19,20).
What are the key properties of 4-methyl-2-[3-(2-oxo-1-pyridinyl)propanoylamino]pentanoic acid?
4-methyl-2-[3-(2-oxo-1-pyridinyl)propanoylamino]pentanoic acid has a molecular weight of 280.32 g/mol, XLogP of 0.85, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-[3-(2-oxo-1-pyridinyl)propanoylamino]pentanoic acid is sourced from PubChem (CID 43170174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).