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

C12H16N2O4 — CID 114039657

IUPAC3-methyl-2-[[(2-oxo-1H-pyridine-4-carbonyl)amino]methyl]butanoic acid
SMILESCC(C)C(CNC(=O)c1cc[nH]c(=O)c1)C(=O)O
InChIInChI=1S/C12H16N2O4/c1-7(2)9(12(17)18)6-14-11(16)8-3-4-13-10(15)5-8/h3-5,7,9H,6H2,1-2H3,(H,13,15)(H,14,16)(H,17,18)
InChIKeyGRJLHTKTDJVMBY-UHFFFAOYSA-N
MW252.27 g/mol
LogP0.46
Rot. Bonds5

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

3-methyl-2-[[(2-oxo-1H-pyridine-4-carbonyl)amino]methyl]butanoic acid (PubChem CID 114039657) has the molecular formula C12H16N2O4 and a molecular weight of 252.27 g/mol. Its IUPAC name is 3-methyl-2-[[(2-oxo-1H-pyridine-4-carbonyl)amino]methyl]butanoic acid.

Molecular Properties

Compound Name3-methyl-2-[[(2-oxo-1H-pyridine-4-carbonyl)amino]methyl]butanoic acid
PubChem CID114039657
Molecular FormulaC12H16N2O4
Molecular Weight252.27 g/mol
Exact Mass252.11
IUPAC Name3-methyl-2-[[(2-oxo-1H-pyridine-4-carbonyl)amino]methyl]butanoic acid
SMILESCC(C)C(CNC(=O)c1cc[nH]c(=O)c1)C(=O)O
InChIInChI=1S/C12H16N2O4/c1-7(2)9(12(17)18)6-14-11(16)8-3-4-13-10(15)5-8/h3-5,7,9H,6H2,1-2H3,(H,13,15)(H,14,16)(H,17,18)
InChIKeyGRJLHTKTDJVMBY-UHFFFAOYSA-N
XLogP0.46
TPSA99.26 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.27
LogP ≤ 50.46
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(1H-indole-5-carbonylamino)methyl]-3-methylbutanoic acid
CID 65220172
N-(2-chloro-2-phenylethyl)-2-oxo-1H-pyridine-4-carboxamide
CID 114039911
N-(2-amino-3-ethylpentyl)-2-oxo-1H-pyridine-4-carboxamide
CID 114168502
2-[[(4-iodobenzoyl)amino]methyl]-3-methylbutanoic acid
CID 65220470
N-(2,2-dicyclopropylethyl)-2-oxo-1H-pyridine-4-carboxamide
CID 113257672
4-methyl-3-[(2-oxo-1H-pyridine-4-carbonyl)amino]pentanoic acid
CID 114039670
N-(3-methylbutan-2-yl)-2-oxo-1H-pyridine-4-carboxamide
CID 103762776
2-[(1,3-benzodioxole-5-carbonylamino)methyl]-3-methylbutanoic acid
CID 65220302
2-oxo-N-(2,2,2-trifluoroethyl)-1H-pyridine-4-carboxamide
CID 103762808
3-hydroxy-3-methyl-4-[(2-oxo-1H-pyridine-4-carbonyl)amino]butanoic acid
CID 114039659
N-(4-bromopentyl)-2-oxo-1H-pyridine-4-carboxamide
CID 106130813
3-methyl-2-[(pyridazine-4-carbonylamino)methyl]butanoic acid
CID 104669732

Frequently Asked Questions

What is the IUPAC name of 3-methyl-2-[[(2-oxo-1H-pyridine-4-carbonyl)amino]methyl]butanoic acid?
The IUPAC name of 3-methyl-2-[[(2-oxo-1H-pyridine-4-carbonyl)amino]methyl]butanoic acid (CID 114039657) is 3-methyl-2-[[(2-oxo-1H-pyridine-4-carbonyl)amino]methyl]butanoic acid.
What is the SMILES notation for 3-methyl-2-[[(2-oxo-1H-pyridine-4-carbonyl)amino]methyl]butanoic acid?
The canonical SMILES for 3-methyl-2-[[(2-oxo-1H-pyridine-4-carbonyl)amino]methyl]butanoic acid is CC(C)C(CNC(=O)c1cc[nH]c(=O)c1)C(=O)O.
What is the InChIKey of 3-methyl-2-[[(2-oxo-1H-pyridine-4-carbonyl)amino]methyl]butanoic acid?
The InChIKey is GRJLHTKTDJVMBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O4/c1-7(2)9(12(17)18)6-14-11(16)8-3-4-13-10(15)5-8/h3-5,7,9H,6H2,1-2H3,(H,13,15)(H,14,16)(H,17,18).
What are the key properties of 3-methyl-2-[[(2-oxo-1H-pyridine-4-carbonyl)amino]methyl]butanoic acid?
3-methyl-2-[[(2-oxo-1H-pyridine-4-carbonyl)amino]methyl]butanoic acid has a molecular weight of 252.27 g/mol, XLogP of 0.46, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-2-[[(2-oxo-1H-pyridine-4-carbonyl)amino]methyl]butanoic acid is sourced from PubChem (CID 114039657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).