(3S)-5-methyl-3-[[(2-oxo-1H-pyridine-3-carbonyl)amino]methyl]hexanoic acid

C14H20N2O4 — CID 65493282

IUPAC(3S)-5-methyl-3-[[(2-oxo-1H-pyridine-3-carbonyl)amino]methyl]hexanoic acid
SMILESCC(C)CC(CNC(=O)c1ccc[nH]c1=O)CC(=O)O
InChIInChI=1S/C14H20N2O4/c1-9(2)6-10(7-12(17)18)8-16-14(20)11-4-3-5-15-13(11)19/h3-5,9-10H,6-8H2,1-2H3,(H,15,19)(H,16,20)(H,17,18)
InChIKeyZOMHNJZBIUWUPZ-UHFFFAOYSA-N
MW280.32 g/mol
LogP1.24
Rot. Bonds7

About (3S)-5-methyl-3-[[(2-oxo-1H-pyridine-3-carbonyl)amino]methyl]hexanoic acid

(3S)-5-methyl-3-[[(2-oxo-1H-pyridine-3-carbonyl)amino]methyl]hexanoic acid (PubChem CID 65493282) has the molecular formula C14H20N2O4 and a molecular weight of 280.32 g/mol. Its IUPAC name is (3S)-5-methyl-3-[[(2-oxo-1H-pyridine-3-carbonyl)amino]methyl]hexanoic acid.

Molecular Properties

Compound Name(3S)-5-methyl-3-[[(2-oxo-1H-pyridine-3-carbonyl)amino]methyl]hexanoic acid
PubChem CID65493282
Molecular FormulaC14H20N2O4
Molecular Weight280.32 g/mol
Exact Mass280.14
IUPAC Name(3S)-5-methyl-3-[[(2-oxo-1H-pyridine-3-carbonyl)amino]methyl]hexanoic acid
SMILESCC(C)CC(CNC(=O)c1ccc[nH]c1=O)CC(=O)O
InChIInChI=1S/C14H20N2O4/c1-9(2)6-10(7-12(17)18)8-16-14(20)11-4-3-5-15-13(11)19/h3-5,9-10H,6-8H2,1-2H3,(H,15,19)(H,16,20)(H,17,18)
InChIKeyZOMHNJZBIUWUPZ-UHFFFAOYSA-N
XLogP1.24
TPSA99.26 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.32
LogP ≤ 51.24
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze (3S)-5-methyl-3-[[(2-oxo-1H-pyridine-3-carbonyl)amino]methyl]hexanoic acid with MolForge

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Related Compounds

8-(2-Oxo-1,2-dihydropyridine-3-carboxamido)octanoic acid
CID 10660393
6-[(1-methyl-2H-pyridine-3-carbonyl)amino]hexanoic acid
CID 20132330
6-[(2-oxo-1H-pyridine-3-carbonyl)amino]hexanoic acid
CID 24691646
7-[(2-oxo-1H-pyridine-3-carbonyl)amino]heptanoic acid
CID 24708760
methyl 6-[(2-oxo-1H-pyridine-3-carbonyl)amino]hexanoate
CID 31842152
6-[3-(2-Oxo-1-pyridinyl)propanoylamino]hexanoic acid
CID 39150885
6-[3-(3-Methyl-2-oxo-1-pyridinyl)propanoylamino]hexanoic acid
CID 39150888
6-[3-(4-Methyl-2-oxo-1-pyridinyl)propanoylamino]hexanoic acid
CID 39150891
6-[[2,2-Dimethyl-3-(2-oxo-1-pyridinyl)propanoyl]amino]hexanoic acid
CID 39150932
6-[[2,2-Dimethyl-3-(3-methyl-2-oxo-1-pyridinyl)propanoyl]amino]hexanoic acid
CID 39150934
6-[4-(3-Methyl-2-oxo-1-pyridinyl)butanoylamino]hexanoic acid
CID 39150950
3-[(2-oxo-1H-pyridine-3-carbonyl)amino]cyclohexane-1-carboxylic acid
CID 55146724

Frequently Asked Questions

What is the IUPAC name of (3S)-5-methyl-3-[[(2-oxo-1H-pyridine-3-carbonyl)amino]methyl]hexanoic acid?
The IUPAC name of (3S)-5-methyl-3-[[(2-oxo-1H-pyridine-3-carbonyl)amino]methyl]hexanoic acid (CID 65493282) is (3S)-5-methyl-3-[[(2-oxo-1H-pyridine-3-carbonyl)amino]methyl]hexanoic acid.
What is the SMILES notation for (3S)-5-methyl-3-[[(2-oxo-1H-pyridine-3-carbonyl)amino]methyl]hexanoic acid?
The canonical SMILES for (3S)-5-methyl-3-[[(2-oxo-1H-pyridine-3-carbonyl)amino]methyl]hexanoic acid is CC(C)CC(CNC(=O)c1ccc[nH]c1=O)CC(=O)O.
What is the InChIKey of (3S)-5-methyl-3-[[(2-oxo-1H-pyridine-3-carbonyl)amino]methyl]hexanoic acid?
The InChIKey is ZOMHNJZBIUWUPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O4/c1-9(2)6-10(7-12(17)18)8-16-14(20)11-4-3-5-15-13(11)19/h3-5,9-10H,6-8H2,1-2H3,(H,15,19)(H,16,20)(H,17,18).
What are the key properties of (3S)-5-methyl-3-[[(2-oxo-1H-pyridine-3-carbonyl)amino]methyl]hexanoic acid?
(3S)-5-methyl-3-[[(2-oxo-1H-pyridine-3-carbonyl)amino]methyl]hexanoic acid has a molecular weight of 280.32 g/mol, XLogP of 1.24, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-5-methyl-3-[[(2-oxo-1H-pyridine-3-carbonyl)amino]methyl]hexanoic acid is sourced from PubChem (CID 65493282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).