(2S)-4-methyl-2-[(1-methyl-2-oxopyridine-3-carbonyl)amino]pentanoic acid

C13H18N2O4 — CID 119362151

IUPAC(2S)-4-methyl-2-[(1-methyl-2-oxopyridine-3-carbonyl)amino]pentanoic acid
SMILESCC(C)C[C@H](NC(=O)c1cccn(C)c1=O)C(=O)O
InChIInChI=1S/C13H18N2O4/c1-8(2)7-10(13(18)19)14-11(16)9-5-4-6-15(3)12(9)17/h4-6,8,10H,7H2,1-3H3,(H,14,16)(H,18,19)/t10-/m0/s1
InChIKeyFVOVFZMQAWOENV-JTQLQIEISA-N
MW266.30 g/mol
LogP0.61
Rot. Bonds5

About (2S)-4-methyl-2-[(1-methyl-2-oxopyridine-3-carbonyl)amino]pentanoic acid

(2S)-4-methyl-2-[(1-methyl-2-oxopyridine-3-carbonyl)amino]pentanoic acid (PubChem CID 119362151) has the molecular formula C13H18N2O4 and a molecular weight of 266.30 g/mol. Its IUPAC name is (2S)-4-methyl-2-[(1-methyl-2-oxopyridine-3-carbonyl)amino]pentanoic acid.

Molecular Properties

Compound Name(2S)-4-methyl-2-[(1-methyl-2-oxopyridine-3-carbonyl)amino]pentanoic acid
PubChem CID119362151
Molecular FormulaC13H18N2O4
Molecular Weight266.30 g/mol
Exact Mass266.13
IUPAC Name(2S)-4-methyl-2-[(1-methyl-2-oxopyridine-3-carbonyl)amino]pentanoic acid
SMILESCC(C)C[C@H](NC(=O)c1cccn(C)c1=O)C(=O)O
InChIInChI=1S/C13H18N2O4/c1-8(2)7-10(13(18)19)14-11(16)9-5-4-6-15(3)12(9)17/h4-6,8,10H,7H2,1-3H3,(H,14,16)(H,18,19)/t10-/m0/s1
InChIKeyFVOVFZMQAWOENV-JTQLQIEISA-N
XLogP0.61
TPSA88.40 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.30
LogP ≤ 50.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2S)-4-methyl-2-[(1-methyl-2-oxopyridine-3-carbonyl)amino]pentanoic acid?
The IUPAC name of (2S)-4-methyl-2-[(1-methyl-2-oxopyridine-3-carbonyl)amino]pentanoic acid (CID 119362151) is (2S)-4-methyl-2-[(1-methyl-2-oxopyridine-3-carbonyl)amino]pentanoic acid.
What is the SMILES notation for (2S)-4-methyl-2-[(1-methyl-2-oxopyridine-3-carbonyl)amino]pentanoic acid?
The canonical SMILES for (2S)-4-methyl-2-[(1-methyl-2-oxopyridine-3-carbonyl)amino]pentanoic acid is CC(C)C[C@H](NC(=O)c1cccn(C)c1=O)C(=O)O.
What is the InChIKey of (2S)-4-methyl-2-[(1-methyl-2-oxopyridine-3-carbonyl)amino]pentanoic acid?
The InChIKey is FVOVFZMQAWOENV-JTQLQIEISA-N. The full InChI is InChI=1S/C13H18N2O4/c1-8(2)7-10(13(18)19)14-11(16)9-5-4-6-15(3)12(9)17/h4-6,8,10H,7H2,1-3H3,(H,14,16)(H,18,19)/t10-/m0/s1.
What are the key properties of (2S)-4-methyl-2-[(1-methyl-2-oxopyridine-3-carbonyl)amino]pentanoic acid?
(2S)-4-methyl-2-[(1-methyl-2-oxopyridine-3-carbonyl)amino]pentanoic acid has a molecular weight of 266.30 g/mol, XLogP of 0.61, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-4-methyl-2-[(1-methyl-2-oxopyridine-3-carbonyl)amino]pentanoic acid is sourced from PubChem (CID 119362151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).