(2S)-2-[(1-butyl-5,6-dimethyl-2-oxopyridine-3-carbonyl)amino]propanoic acid

C15H22N2O4 — CID 69475477

IUPAC(2S)-2-[(1-butyl-5,6-dimethyl-2-oxopyridine-3-carbonyl)amino]propanoic acid
SMILESCCCCn1c(C)c(C)cc(C(=O)N[C@@H](C)C(=O)O)c1=O
InChIInChI=1S/C15H22N2O4/c1-5-6-7-17-11(4)9(2)8-12(14(17)19)13(18)16-10(3)15(20)21/h8,10H,5-7H2,1-4H3,(H,16,18)(H,20,21)/t10-/m0/s1
InChIKeyMVHKBEZHEKAIEM-JTQLQIEISA-N
MW294.35 g/mol
LogP1.47
Rot. Bonds6

About (2S)-2-[(1-butyl-5,6-dimethyl-2-oxopyridine-3-carbonyl)amino]propanoic acid

(2S)-2-[(1-butyl-5,6-dimethyl-2-oxopyridine-3-carbonyl)amino]propanoic acid (PubChem CID 69475477) has the molecular formula C15H22N2O4 and a molecular weight of 294.35 g/mol. Its IUPAC name is (2S)-2-[(1-butyl-5,6-dimethyl-2-oxopyridine-3-carbonyl)amino]propanoic acid.

Molecular Properties

Compound Name(2S)-2-[(1-butyl-5,6-dimethyl-2-oxopyridine-3-carbonyl)amino]propanoic acid
PubChem CID69475477
Molecular FormulaC15H22N2O4
Molecular Weight294.35 g/mol
Exact Mass294.16
IUPAC Name(2S)-2-[(1-butyl-5,6-dimethyl-2-oxopyridine-3-carbonyl)amino]propanoic acid
SMILESCCCCn1c(C)c(C)cc(C(=O)N[C@@H](C)C(=O)O)c1=O
InChIInChI=1S/C15H22N2O4/c1-5-6-7-17-11(4)9(2)8-12(14(17)19)13(18)16-10(3)15(20)21/h8,10H,5-7H2,1-4H3,(H,16,18)(H,20,21)/t10-/m0/s1
InChIKeyMVHKBEZHEKAIEM-JTQLQIEISA-N
XLogP1.47
TPSA88.40 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.35
LogP ≤ 51.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-[(1-butyl-5,6-dimethyl-2-oxopyridine-3-carbonyl)amino]propanoic acid?
The IUPAC name of (2S)-2-[(1-butyl-5,6-dimethyl-2-oxopyridine-3-carbonyl)amino]propanoic acid (CID 69475477) is (2S)-2-[(1-butyl-5,6-dimethyl-2-oxopyridine-3-carbonyl)amino]propanoic acid.
What is the SMILES notation for (2S)-2-[(1-butyl-5,6-dimethyl-2-oxopyridine-3-carbonyl)amino]propanoic acid?
The canonical SMILES for (2S)-2-[(1-butyl-5,6-dimethyl-2-oxopyridine-3-carbonyl)amino]propanoic acid is CCCCn1c(C)c(C)cc(C(=O)N[C@@H](C)C(=O)O)c1=O.
What is the InChIKey of (2S)-2-[(1-butyl-5,6-dimethyl-2-oxopyridine-3-carbonyl)amino]propanoic acid?
The InChIKey is MVHKBEZHEKAIEM-JTQLQIEISA-N. The full InChI is InChI=1S/C15H22N2O4/c1-5-6-7-17-11(4)9(2)8-12(14(17)19)13(18)16-10(3)15(20)21/h8,10H,5-7H2,1-4H3,(H,16,18)(H,20,21)/t10-/m0/s1.
What are the key properties of (2S)-2-[(1-butyl-5,6-dimethyl-2-oxopyridine-3-carbonyl)amino]propanoic acid?
(2S)-2-[(1-butyl-5,6-dimethyl-2-oxopyridine-3-carbonyl)amino]propanoic acid has a molecular weight of 294.35 g/mol, XLogP of 1.47, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[(1-butyl-5,6-dimethyl-2-oxopyridine-3-carbonyl)amino]propanoic acid is sourced from PubChem (CID 69475477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).