(3S)-5-methyl-3-[[(1-methyl-2-oxopyridine-4-carbonyl)amino]methyl]hexanoic acid

C15H22N2O4 — CID 65494306

IUPAC(3S)-5-methyl-3-[[(1-methyl-2-oxopyridine-4-carbonyl)amino]methyl]hexanoic acid
SMILESCC(C)C[C@H](CNC(=O)c1ccn(C)c(=O)c1)CC(=O)O
InChIInChI=1S/C15H22N2O4/c1-10(2)6-11(7-14(19)20)9-16-15(21)12-4-5-17(3)13(18)8-12/h4-5,8,10-11H,6-7,9H2,1-3H3,(H,16,21)(H,19,20)/t11-/m0/s1
InChIKeyATLYBWRKFOKCOJ-NSHDSACASA-N
MW294.35 g/mol
LogP1.25
Rot. Bonds7

About (3S)-5-methyl-3-[[(1-methyl-2-oxopyridine-4-carbonyl)amino]methyl]hexanoic acid

(3S)-5-methyl-3-[[(1-methyl-2-oxopyridine-4-carbonyl)amino]methyl]hexanoic acid (PubChem CID 65494306) has the molecular formula C15H22N2O4 and a molecular weight of 294.35 g/mol. Its IUPAC name is (3S)-5-methyl-3-[[(1-methyl-2-oxopyridine-4-carbonyl)amino]methyl]hexanoic acid.

Molecular Properties

Compound Name(3S)-5-methyl-3-[[(1-methyl-2-oxopyridine-4-carbonyl)amino]methyl]hexanoic acid
PubChem CID65494306
Molecular FormulaC15H22N2O4
Molecular Weight294.35 g/mol
Exact Mass294.16
IUPAC Name(3S)-5-methyl-3-[[(1-methyl-2-oxopyridine-4-carbonyl)amino]methyl]hexanoic acid
SMILESCC(C)C[C@H](CNC(=O)c1ccn(C)c(=O)c1)CC(=O)O
InChIInChI=1S/C15H22N2O4/c1-10(2)6-11(7-14(19)20)9-16-15(21)12-4-5-17(3)13(18)8-12/h4-5,8,10-11H,6-7,9H2,1-3H3,(H,16,21)(H,19,20)/t11-/m0/s1
InChIKeyATLYBWRKFOKCOJ-NSHDSACASA-N
XLogP1.25
TPSA88.40 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.35
LogP ≤ 51.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (3S)-5-methyl-3-[[(1-methyl-2-oxopyridine-4-carbonyl)amino]methyl]hexanoic acid?
The IUPAC name of (3S)-5-methyl-3-[[(1-methyl-2-oxopyridine-4-carbonyl)amino]methyl]hexanoic acid (CID 65494306) is (3S)-5-methyl-3-[[(1-methyl-2-oxopyridine-4-carbonyl)amino]methyl]hexanoic acid.
What is the SMILES notation for (3S)-5-methyl-3-[[(1-methyl-2-oxopyridine-4-carbonyl)amino]methyl]hexanoic acid?
The canonical SMILES for (3S)-5-methyl-3-[[(1-methyl-2-oxopyridine-4-carbonyl)amino]methyl]hexanoic acid is CC(C)C[C@H](CNC(=O)c1ccn(C)c(=O)c1)CC(=O)O.
What is the InChIKey of (3S)-5-methyl-3-[[(1-methyl-2-oxopyridine-4-carbonyl)amino]methyl]hexanoic acid?
The InChIKey is ATLYBWRKFOKCOJ-NSHDSACASA-N. The full InChI is InChI=1S/C15H22N2O4/c1-10(2)6-11(7-14(19)20)9-16-15(21)12-4-5-17(3)13(18)8-12/h4-5,8,10-11H,6-7,9H2,1-3H3,(H,16,21)(H,19,20)/t11-/m0/s1.
What are the key properties of (3S)-5-methyl-3-[[(1-methyl-2-oxopyridine-4-carbonyl)amino]methyl]hexanoic acid?
(3S)-5-methyl-3-[[(1-methyl-2-oxopyridine-4-carbonyl)amino]methyl]hexanoic acid has a molecular weight of 294.35 g/mol, XLogP of 1.25, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-5-methyl-3-[[(1-methyl-2-oxopyridine-4-carbonyl)amino]methyl]hexanoic acid is sourced from PubChem (CID 65494306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).