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

C17H26N2O4 — CID 69475377

IUPAC(2R)-2-[(1-butyl-5,6-dimethyl-2-oxopyridine-3-carbonyl)amino]-3-methylbutanoic acid
SMILESCCCCn1c(C)c(C)cc(C(=O)N[C@@H](C(=O)O)C(C)C)c1=O
InChIInChI=1S/C17H26N2O4/c1-6-7-8-19-12(5)11(4)9-13(16(19)21)15(20)18-14(10(2)3)17(22)23/h9-10,14H,6-8H2,1-5H3,(H,18,20)(H,22,23)/t14-/m1/s1
InChIKeyKNGWZJBLNBKRJY-CQSZACIVSA-N
MW322.41 g/mol
LogP2.10
Rot. Bonds7

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

(2R)-2-[(1-butyl-5,6-dimethyl-2-oxopyridine-3-carbonyl)amino]-3-methylbutanoic acid (PubChem CID 69475377) has the molecular formula C17H26N2O4 and a molecular weight of 322.41 g/mol. Its IUPAC name is (2R)-2-[(1-butyl-5,6-dimethyl-2-oxopyridine-3-carbonyl)amino]-3-methylbutanoic acid.

Molecular Properties

Compound Name(2R)-2-[(1-butyl-5,6-dimethyl-2-oxopyridine-3-carbonyl)amino]-3-methylbutanoic acid
PubChem CID69475377
Molecular FormulaC17H26N2O4
Molecular Weight322.41 g/mol
Exact Mass322.19
IUPAC Name(2R)-2-[(1-butyl-5,6-dimethyl-2-oxopyridine-3-carbonyl)amino]-3-methylbutanoic acid
SMILESCCCCn1c(C)c(C)cc(C(=O)N[C@@H](C(=O)O)C(C)C)c1=O
InChIInChI=1S/C17H26N2O4/c1-6-7-8-19-12(5)11(4)9-13(16(19)21)15(20)18-14(10(2)3)17(22)23/h9-10,14H,6-8H2,1-5H3,(H,18,20)(H,22,23)/t14-/m1/s1
InChIKeyKNGWZJBLNBKRJY-CQSZACIVSA-N
XLogP2.10
TPSA88.40 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.41
LogP ≤ 52.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2R)-2-[(1-butyl-5,6-dimethyl-2-oxopyridine-3-carbonyl)amino]-3-methylbutanoic acid?
The IUPAC name of (2R)-2-[(1-butyl-5,6-dimethyl-2-oxopyridine-3-carbonyl)amino]-3-methylbutanoic acid (CID 69475377) is (2R)-2-[(1-butyl-5,6-dimethyl-2-oxopyridine-3-carbonyl)amino]-3-methylbutanoic acid.
What is the SMILES notation for (2R)-2-[(1-butyl-5,6-dimethyl-2-oxopyridine-3-carbonyl)amino]-3-methylbutanoic acid?
The canonical SMILES for (2R)-2-[(1-butyl-5,6-dimethyl-2-oxopyridine-3-carbonyl)amino]-3-methylbutanoic acid is CCCCn1c(C)c(C)cc(C(=O)N[C@@H](C(=O)O)C(C)C)c1=O.
What is the InChIKey of (2R)-2-[(1-butyl-5,6-dimethyl-2-oxopyridine-3-carbonyl)amino]-3-methylbutanoic acid?
The InChIKey is KNGWZJBLNBKRJY-CQSZACIVSA-N. The full InChI is InChI=1S/C17H26N2O4/c1-6-7-8-19-12(5)11(4)9-13(16(19)21)15(20)18-14(10(2)3)17(22)23/h9-10,14H,6-8H2,1-5H3,(H,18,20)(H,22,23)/t14-/m1/s1.
What are the key properties of (2R)-2-[(1-butyl-5,6-dimethyl-2-oxopyridine-3-carbonyl)amino]-3-methylbutanoic acid?
(2R)-2-[(1-butyl-5,6-dimethyl-2-oxopyridine-3-carbonyl)amino]-3-methylbutanoic acid has a molecular weight of 322.41 g/mol, XLogP of 2.10, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[(1-butyl-5,6-dimethyl-2-oxopyridine-3-carbonyl)amino]-3-methylbutanoic acid is sourced from PubChem (CID 69475377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).