3-hydroxy-3-methyl-4-[(2-oxo-1H-pyridine-4-carbonyl)amino]butanoic acid

C11H14N2O5 — CID 114039659

IUPAC3-hydroxy-3-methyl-4-[(2-oxo-1H-pyridine-4-carbonyl)amino]butanoic acid
SMILESCC(O)(CNC(=O)c1cc[nH]c(=O)c1)CC(=O)O
InChIInChI=1S/C11H14N2O5/c1-11(18,5-9(15)16)6-13-10(17)7-2-3-12-8(14)4-7/h2-4,18H,5-6H2,1H3,(H,12,14)(H,13,17)(H,15,16)
InChIKeyXEPKKGSEEAVANT-UHFFFAOYSA-N
MW254.24 g/mol
LogP-0.67
Rot. Bonds5

About 3-hydroxy-3-methyl-4-[(2-oxo-1H-pyridine-4-carbonyl)amino]butanoic acid

3-hydroxy-3-methyl-4-[(2-oxo-1H-pyridine-4-carbonyl)amino]butanoic acid (PubChem CID 114039659) has the molecular formula C11H14N2O5 and a molecular weight of 254.24 g/mol. Its IUPAC name is 3-hydroxy-3-methyl-4-[(2-oxo-1H-pyridine-4-carbonyl)amino]butanoic acid.

Molecular Properties

Compound Name3-hydroxy-3-methyl-4-[(2-oxo-1H-pyridine-4-carbonyl)amino]butanoic acid
PubChem CID114039659
Molecular FormulaC11H14N2O5
Molecular Weight254.24 g/mol
Exact Mass254.09
IUPAC Name3-hydroxy-3-methyl-4-[(2-oxo-1H-pyridine-4-carbonyl)amino]butanoic acid
SMILESCC(O)(CNC(=O)c1cc[nH]c(=O)c1)CC(=O)O
InChIInChI=1S/C11H14N2O5/c1-11(18,5-9(15)16)6-13-10(17)7-2-3-12-8(14)4-7/h2-4,18H,5-6H2,1H3,(H,12,14)(H,13,17)(H,15,16)
InChIKeyXEPKKGSEEAVANT-UHFFFAOYSA-N
XLogP-0.67
TPSA119.49 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.24
LogP ≤ 5-0.67
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

4-(3H-benzimidazole-5-carbonylamino)-3-hydroxy-3-methylbutanoic acid
CID 66002921
4-[(4-fluorobenzoyl)amino]-3-hydroxy-3-methylbutanoic acid
CID 66000907
2-oxo-N-(2,2,2-trifluoroethyl)-1H-pyridine-4-carboxamide
CID 103762808
N-(4-amino-2,2-dimethylbutyl)-2-oxo-1H-pyridine-4-carboxamide
CID 106140156
3-hydroxy-4-[(3-hydroxy-4-iodobenzoyl)amino]-3-methylbutanoic acid
CID 114103303
3-hydroxy-3-methyl-4-[(3-nitrobenzoyl)amino]butanoic acid
CID 66002927
4-[(4-carbamoylbenzoyl)amino]-3-hydroxy-3-methylbutanoic acid
CID 66003486
4-[(4-bromo-3-fluorobenzoyl)amino]-3-hydroxy-3-methylbutanoic acid
CID 66001744
4-[(2,4-dioxo-1H-pyrimidine-6-carbonyl)amino]-3-hydroxy-3-methylbutanoic acid
CID 66002899
3-hydroxy-3-methyl-4-(thiophene-3-carbonylamino)butanoic acid
CID 66000914
4-[(3,5-dimethoxybenzoyl)amino]-3-hydroxy-3-methylbutanoic acid
CID 66001318
4-[(4-chloro-1H-pyrrole-2-carbonyl)amino]-3-hydroxy-3-methylbutanoic acid
CID 66001912

Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-3-methyl-4-[(2-oxo-1H-pyridine-4-carbonyl)amino]butanoic acid?
The IUPAC name of 3-hydroxy-3-methyl-4-[(2-oxo-1H-pyridine-4-carbonyl)amino]butanoic acid (CID 114039659) is 3-hydroxy-3-methyl-4-[(2-oxo-1H-pyridine-4-carbonyl)amino]butanoic acid.
What is the SMILES notation for 3-hydroxy-3-methyl-4-[(2-oxo-1H-pyridine-4-carbonyl)amino]butanoic acid?
The canonical SMILES for 3-hydroxy-3-methyl-4-[(2-oxo-1H-pyridine-4-carbonyl)amino]butanoic acid is CC(O)(CNC(=O)c1cc[nH]c(=O)c1)CC(=O)O.
What is the InChIKey of 3-hydroxy-3-methyl-4-[(2-oxo-1H-pyridine-4-carbonyl)amino]butanoic acid?
The InChIKey is XEPKKGSEEAVANT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2O5/c1-11(18,5-9(15)16)6-13-10(17)7-2-3-12-8(14)4-7/h2-4,18H,5-6H2,1H3,(H,12,14)(H,13,17)(H,15,16).
What are the key properties of 3-hydroxy-3-methyl-4-[(2-oxo-1H-pyridine-4-carbonyl)amino]butanoic acid?
3-hydroxy-3-methyl-4-[(2-oxo-1H-pyridine-4-carbonyl)amino]butanoic acid has a molecular weight of 254.24 g/mol, XLogP of -0.67, 5 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-3-methyl-4-[(2-oxo-1H-pyridine-4-carbonyl)amino]butanoic acid is sourced from PubChem (CID 114039659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).