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

C17H24N2O6 — CID 69473273

IUPAC(2S)-2-[(1-butyl-5,6-dimethyl-2-oxopyridine-3-carbonyl)amino]pentanedioic acid
SMILESCCCCn1c(C)c(C)cc(C(=O)N[C@@H](CCC(=O)O)C(=O)O)c1=O
InChIInChI=1S/C17H24N2O6/c1-4-5-8-19-11(3)10(2)9-12(16(19)23)15(22)18-13(17(24)25)6-7-14(20)21/h9,13H,4-8H2,1-3H3,(H,18,22)(H,20,21)(H,24,25)/t13-/m0/s1
InChIKeyLRRUTKNEHGOEFO-ZDUSSCGKSA-N
MW352.39 g/mol
LogP1.31
Rot. Bonds9

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

(2S)-2-[(1-butyl-5,6-dimethyl-2-oxopyridine-3-carbonyl)amino]pentanedioic acid (PubChem CID 69473273) has the molecular formula C17H24N2O6 and a molecular weight of 352.39 g/mol. Its IUPAC name is (2S)-2-[(1-butyl-5,6-dimethyl-2-oxopyridine-3-carbonyl)amino]pentanedioic acid.

Molecular Properties

Compound Name(2S)-2-[(1-butyl-5,6-dimethyl-2-oxopyridine-3-carbonyl)amino]pentanedioic acid
PubChem CID69473273
Molecular FormulaC17H24N2O6
Molecular Weight352.39 g/mol
Exact Mass352.16
IUPAC Name(2S)-2-[(1-butyl-5,6-dimethyl-2-oxopyridine-3-carbonyl)amino]pentanedioic acid
SMILESCCCCn1c(C)c(C)cc(C(=O)N[C@@H](CCC(=O)O)C(=O)O)c1=O
InChIInChI=1S/C17H24N2O6/c1-4-5-8-19-11(3)10(2)9-12(16(19)23)15(22)18-13(17(24)25)6-7-14(20)21/h9,13H,4-8H2,1-3H3,(H,18,22)(H,20,21)(H,24,25)/t13-/m0/s1
InChIKeyLRRUTKNEHGOEFO-ZDUSSCGKSA-N
XLogP1.31
TPSA125.70 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.39
LogP ≤ 51.31
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze (2S)-2-[(1-butyl-5,6-dimethyl-2-oxopyridine-3-carbonyl)amino]pentanedioic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[(1-butyl-5,6-dimethyl-2-oxopyridine-3-carbonyl)amino]pentanedioic acid?
The IUPAC name of (2S)-2-[(1-butyl-5,6-dimethyl-2-oxopyridine-3-carbonyl)amino]pentanedioic acid (CID 69473273) is (2S)-2-[(1-butyl-5,6-dimethyl-2-oxopyridine-3-carbonyl)amino]pentanedioic acid.
What is the SMILES notation for (2S)-2-[(1-butyl-5,6-dimethyl-2-oxopyridine-3-carbonyl)amino]pentanedioic acid?
The canonical SMILES for (2S)-2-[(1-butyl-5,6-dimethyl-2-oxopyridine-3-carbonyl)amino]pentanedioic acid is CCCCn1c(C)c(C)cc(C(=O)N[C@@H](CCC(=O)O)C(=O)O)c1=O.
What is the InChIKey of (2S)-2-[(1-butyl-5,6-dimethyl-2-oxopyridine-3-carbonyl)amino]pentanedioic acid?
The InChIKey is LRRUTKNEHGOEFO-ZDUSSCGKSA-N. The full InChI is InChI=1S/C17H24N2O6/c1-4-5-8-19-11(3)10(2)9-12(16(19)23)15(22)18-13(17(24)25)6-7-14(20)21/h9,13H,4-8H2,1-3H3,(H,18,22)(H,20,21)(H,24,25)/t13-/m0/s1.
What are the key properties of (2S)-2-[(1-butyl-5,6-dimethyl-2-oxopyridine-3-carbonyl)amino]pentanedioic acid?
(2S)-2-[(1-butyl-5,6-dimethyl-2-oxopyridine-3-carbonyl)amino]pentanedioic acid has a molecular weight of 352.39 g/mol, XLogP of 1.31, 9 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[(1-butyl-5,6-dimethyl-2-oxopyridine-3-carbonyl)amino]pentanedioic acid is sourced from PubChem (CID 69473273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).