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

C15H22N2O5 — CID 69474590

IUPAC(2S)-2-[(1-butyl-5,6-dimethyl-2-oxopyridine-3-carbonyl)amino]-3-hydroxypropanoic acid
SMILESCCCCn1c(C)c(C)cc(C(=O)N[C@@H](CO)C(=O)O)c1=O
InChIInChI=1S/C15H22N2O5/c1-4-5-6-17-10(3)9(2)7-11(14(17)20)13(19)16-12(8-18)15(21)22/h7,12,18H,4-6,8H2,1-3H3,(H,16,19)(H,21,22)/t12-/m0/s1
InChIKeyFPYWBJIIEZVPGX-LBPRGKRZSA-N
MW310.35 g/mol
LogP0.44
Rot. Bonds7

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

(2S)-2-[(1-butyl-5,6-dimethyl-2-oxopyridine-3-carbonyl)amino]-3-hydroxypropanoic acid (PubChem CID 69474590) has the molecular formula C15H22N2O5 and a molecular weight of 310.35 g/mol. Its IUPAC name is (2S)-2-[(1-butyl-5,6-dimethyl-2-oxopyridine-3-carbonyl)amino]-3-hydroxypropanoic acid.

Molecular Properties

Compound Name(2S)-2-[(1-butyl-5,6-dimethyl-2-oxopyridine-3-carbonyl)amino]-3-hydroxypropanoic acid
PubChem CID69474590
Molecular FormulaC15H22N2O5
Molecular Weight310.35 g/mol
Exact Mass310.15
IUPAC Name(2S)-2-[(1-butyl-5,6-dimethyl-2-oxopyridine-3-carbonyl)amino]-3-hydroxypropanoic acid
SMILESCCCCn1c(C)c(C)cc(C(=O)N[C@@H](CO)C(=O)O)c1=O
InChIInChI=1S/C15H22N2O5/c1-4-5-6-17-10(3)9(2)7-11(14(17)20)13(19)16-12(8-18)15(21)22/h7,12,18H,4-6,8H2,1-3H3,(H,16,19)(H,21,22)/t12-/m0/s1
InChIKeyFPYWBJIIEZVPGX-LBPRGKRZSA-N
XLogP0.44
TPSA108.63 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.35
LogP ≤ 50.44
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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

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Related Compounds

methyl (2R)-2-[(1-butyl-5,6-dimethyl-2-oxopyridine-3-carbonyl)amino]-4-methylpentanoate
CID 69473584
(3S)-3-[(1,5,6-trimethyl-2-oxopyridine-3-carbonyl)amino]heptanoic acid
CID 125163140
1-butyl-N-(2-chloro-1-phenylethyl)-6-ethyl-5-methyl-2-oxopyridine-3-carboxamide
CID 23587830
(2S)-2-[[1-(cyclohexylmethyl)-5,6-dimethyl-2-oxopyridine-3-carbonyl]amino]pentanedioic acid
CID 69474872
2-[[6-ethyl-5-methyl-1-(3-methylbutyl)-2-oxopyridine-3-carbonyl]amino]-4,4-dimethylpentanoic acid
CID 69474466
N-(1-butyl-5,6-dimethyl-2-oxo-3-pyridinyl)-2,5-dimethylbenzamide
CID 23587977
2-[(1-butyl-6-ethyl-5-methyl-2-oxopyridine-3-carbonyl)amino]-2,3-dimethylbutanoic acid
CID 150762523
2-[(5-fluoro-2-methylbenzoyl)amino]-3-hydroxypropanoic acid
CID 63047722
1-butyl-5-ethyl-2-oxo-N-propan-2-yl-6-propylpyridine-3-carboxamide
CID 59718789
(2S)-2-[(1-butyl-2-oxo-5,6,7,8-tetrahydroquinoline-3-carbonyl)amino]-3-methylbutanoic acid
CID 69475515
(2R)-2-[(2-ethyl-5-methylpyrazole-3-carbonyl)amino]-3-hydroxypropanoic acid
CID 80750940
1-(1-butyl-5,6-dimethyl-2-oxo-3-pyridinyl)-3-phenylurea
CID 71660058

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[(1-butyl-5,6-dimethyl-2-oxopyridine-3-carbonyl)amino]-3-hydroxypropanoic acid?
The IUPAC name of (2S)-2-[(1-butyl-5,6-dimethyl-2-oxopyridine-3-carbonyl)amino]-3-hydroxypropanoic acid (CID 69474590) is (2S)-2-[(1-butyl-5,6-dimethyl-2-oxopyridine-3-carbonyl)amino]-3-hydroxypropanoic acid.
What is the SMILES notation for (2S)-2-[(1-butyl-5,6-dimethyl-2-oxopyridine-3-carbonyl)amino]-3-hydroxypropanoic acid?
The canonical SMILES for (2S)-2-[(1-butyl-5,6-dimethyl-2-oxopyridine-3-carbonyl)amino]-3-hydroxypropanoic acid is CCCCn1c(C)c(C)cc(C(=O)N[C@@H](CO)C(=O)O)c1=O.
What is the InChIKey of (2S)-2-[(1-butyl-5,6-dimethyl-2-oxopyridine-3-carbonyl)amino]-3-hydroxypropanoic acid?
The InChIKey is FPYWBJIIEZVPGX-LBPRGKRZSA-N. The full InChI is InChI=1S/C15H22N2O5/c1-4-5-6-17-10(3)9(2)7-11(14(17)20)13(19)16-12(8-18)15(21)22/h7,12,18H,4-6,8H2,1-3H3,(H,16,19)(H,21,22)/t12-/m0/s1.
What are the key properties of (2S)-2-[(1-butyl-5,6-dimethyl-2-oxopyridine-3-carbonyl)amino]-3-hydroxypropanoic acid?
(2S)-2-[(1-butyl-5,6-dimethyl-2-oxopyridine-3-carbonyl)amino]-3-hydroxypropanoic acid has a molecular weight of 310.35 g/mol, XLogP of 0.44, 7 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]-3-hydroxypropanoic acid is sourced from PubChem (CID 69474590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).