(2S)-2-[(4-methyl-6-oxo-1H-pyridine-3-carbonyl)amino]hexanoic acid

C13H18N2O4 — CID 120615362

IUPAC(2S)-2-[(4-methyl-6-oxo-1H-pyridine-3-carbonyl)amino]hexanoic acid
SMILESCCCC[C@H](NC(=O)c1c[nH]c(=O)cc1C)C(=O)O
InChIInChI=1S/C13H18N2O4/c1-3-4-5-10(13(18)19)15-12(17)9-7-14-11(16)6-8(9)2/h6-7,10H,3-5H2,1-2H3,(H,14,16)(H,15,17)(H,18,19)/t10-/m0/s1
InChIKeyGNJLZPRGEYTGFE-JTQLQIEISA-N
MW266.30 g/mol
LogP1.06
Rot. Bonds6

About (2S)-2-[(4-methyl-6-oxo-1H-pyridine-3-carbonyl)amino]hexanoic acid

(2S)-2-[(4-methyl-6-oxo-1H-pyridine-3-carbonyl)amino]hexanoic acid (PubChem CID 120615362) has the molecular formula C13H18N2O4 and a molecular weight of 266.30 g/mol. Its IUPAC name is (2S)-2-[(4-methyl-6-oxo-1H-pyridine-3-carbonyl)amino]hexanoic acid.

Molecular Properties

Compound Name(2S)-2-[(4-methyl-6-oxo-1H-pyridine-3-carbonyl)amino]hexanoic acid
PubChem CID120615362
Molecular FormulaC13H18N2O4
Molecular Weight266.30 g/mol
Exact Mass266.13
IUPAC Name(2S)-2-[(4-methyl-6-oxo-1H-pyridine-3-carbonyl)amino]hexanoic acid
SMILESCCCC[C@H](NC(=O)c1c[nH]c(=O)cc1C)C(=O)O
InChIInChI=1S/C13H18N2O4/c1-3-4-5-10(13(18)19)15-12(17)9-7-14-11(16)6-8(9)2/h6-7,10H,3-5H2,1-2H3,(H,14,16)(H,15,17)(H,18,19)/t10-/m0/s1
InChIKeyGNJLZPRGEYTGFE-JTQLQIEISA-N
XLogP1.06
TPSA99.26 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.30
LogP ≤ 51.06
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-[(4,5-dimethoxy-2-methylbenzoyl)amino]hexanoic acid
CID 120614513
2-[(2-oxo-1,3-dihydroimidazole-4-carbonyl)amino]hexanoic acid
CID 43469889
2-[(4,6-dimethyl-2-oxo-1H-pyridine-3-carbonyl)amino]hexanoic acid
CID 43469733
2-[(2-hydroxy-5-methylbenzoyl)amino]hexanoic acid
CID 43469944
(2S)-2-[(4-phenyl-1H-pyrrole-3-carbonyl)amino]hexanoic acid
CID 120615508
(2S)-2-[(2-chloro-4-methylbenzoyl)amino]hexanoic acid
CID 107144325
(2S)-2-[(2-fluoro-5-methylbenzoyl)amino]hexanoic acid
CID 107144143
2-[(3-hydroxy-2-methylbenzoyl)amino]hexanoic acid
CID 82826318
2-[(5-bromo-2-iodobenzoyl)amino]hexanoic acid
CID 43387033
4-[[(1S)-1-carboxypentyl]carbamoyl]benzoic acid
CID 120615746
2-(2H-triazole-4-carbonylamino)hexanoic acid
CID 63283324
(2S)-2-[(2-chloro-5-hydroxybenzoyl)amino]hexanoic acid
CID 107144107

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[(4-methyl-6-oxo-1H-pyridine-3-carbonyl)amino]hexanoic acid?
The IUPAC name of (2S)-2-[(4-methyl-6-oxo-1H-pyridine-3-carbonyl)amino]hexanoic acid (CID 120615362) is (2S)-2-[(4-methyl-6-oxo-1H-pyridine-3-carbonyl)amino]hexanoic acid.
What is the SMILES notation for (2S)-2-[(4-methyl-6-oxo-1H-pyridine-3-carbonyl)amino]hexanoic acid?
The canonical SMILES for (2S)-2-[(4-methyl-6-oxo-1H-pyridine-3-carbonyl)amino]hexanoic acid is CCCC[C@H](NC(=O)c1c[nH]c(=O)cc1C)C(=O)O.
What is the InChIKey of (2S)-2-[(4-methyl-6-oxo-1H-pyridine-3-carbonyl)amino]hexanoic acid?
The InChIKey is GNJLZPRGEYTGFE-JTQLQIEISA-N. The full InChI is InChI=1S/C13H18N2O4/c1-3-4-5-10(13(18)19)15-12(17)9-7-14-11(16)6-8(9)2/h6-7,10H,3-5H2,1-2H3,(H,14,16)(H,15,17)(H,18,19)/t10-/m0/s1.
What are the key properties of (2S)-2-[(4-methyl-6-oxo-1H-pyridine-3-carbonyl)amino]hexanoic acid?
(2S)-2-[(4-methyl-6-oxo-1H-pyridine-3-carbonyl)amino]hexanoic acid has a molecular weight of 266.30 g/mol, XLogP of 1.06, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[(4-methyl-6-oxo-1H-pyridine-3-carbonyl)amino]hexanoic acid is sourced from PubChem (CID 120615362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).