2-methyl-2-[(1-methyl-2-oxopyridine-3-carbonyl)amino]propanoic acid

C11H14N2O4 — CID 120515869

IUPAC2-methyl-2-[(1-methyl-2-oxopyridine-3-carbonyl)amino]propanoic acid
SMILESCn1cccc(C(=O)NC(C)(C)C(=O)O)c1=O
InChIInChI=1S/C11H14N2O4/c1-11(2,10(16)17)12-8(14)7-5-4-6-13(3)9(7)15/h4-6H,1-3H3,(H,12,14)(H,16,17)
InChIKeySTLCFRJJKWPPMS-UHFFFAOYSA-N
MW238.24 g/mol
LogP-0.02
Rot. Bonds3

About 2-methyl-2-[(1-methyl-2-oxopyridine-3-carbonyl)amino]propanoic acid

2-methyl-2-[(1-methyl-2-oxopyridine-3-carbonyl)amino]propanoic acid (PubChem CID 120515869) has the molecular formula C11H14N2O4 and a molecular weight of 238.24 g/mol. Its IUPAC name is 2-methyl-2-[(1-methyl-2-oxopyridine-3-carbonyl)amino]propanoic acid.

Molecular Properties

Compound Name2-methyl-2-[(1-methyl-2-oxopyridine-3-carbonyl)amino]propanoic acid
PubChem CID120515869
Molecular FormulaC11H14N2O4
Molecular Weight238.24 g/mol
Exact Mass238.10
IUPAC Name2-methyl-2-[(1-methyl-2-oxopyridine-3-carbonyl)amino]propanoic acid
SMILESCn1cccc(C(=O)NC(C)(C)C(=O)O)c1=O
InChIInChI=1S/C11H14N2O4/c1-11(2,10(16)17)12-8(14)7-5-4-6-13(3)9(7)15/h4-6H,1-3H3,(H,12,14)(H,16,17)
InChIKeySTLCFRJJKWPPMS-UHFFFAOYSA-N
XLogP-0.02
TPSA88.40 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.24
LogP ≤ 5-0.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-methoxy-2-methyl-2-[(1-methyl-2-oxopyridine-3-carbonyl)amino]propanoic acid
CID 120531726
2-methyl-2-[4-[(1-methyl-2-oxopyridine-3-carbonyl)amino]pyrazol-1-yl]propanoic acid
CID 120696985
3-acetyl-1-methylpyridin-2-one
CID 82527252
2-[[2-(1,3-dioxoisoindol-2-yl)benzoyl]amino]-2-methylpropanoic acid
CID 101120220
2-[(2-fluoro-3-methylbenzoyl)amino]-2-methylpropanoic acid
CID 81481164
1-[(1-methyl-2-oxopyridine-3-carbonyl)amino]cyclopentane-1-carboxylic acid
CID 119350667
N-(2,6-difluorophenyl)-1-methyl-2-oxopyridine-3-carboxamide
CID 110692966
8-[(1-methyl-2-oxopyridine-3-carbonyl)amino]octanoic acid
CID 120535591
N-(2-bromophenyl)-1-methyl-2-oxopyridine-3-carboxamide
CID 110692929
methyl 2-[(1-methyl-2-oxopyridine-3-carbonyl)amino]benzoate
CID 110692910
methyl 4-[(1-methyl-2-oxopyridine-3-carbonyl)amino]benzoate
CID 110692912
N-[1-(4-tert-butyl-1,3-thiazol-2-yl)ethyl]-1-methyl-2-oxopyridine-3-carboxamide
CID 146125452

Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-[(1-methyl-2-oxopyridine-3-carbonyl)amino]propanoic acid?
The IUPAC name of 2-methyl-2-[(1-methyl-2-oxopyridine-3-carbonyl)amino]propanoic acid (CID 120515869) is 2-methyl-2-[(1-methyl-2-oxopyridine-3-carbonyl)amino]propanoic acid.
What is the SMILES notation for 2-methyl-2-[(1-methyl-2-oxopyridine-3-carbonyl)amino]propanoic acid?
The canonical SMILES for 2-methyl-2-[(1-methyl-2-oxopyridine-3-carbonyl)amino]propanoic acid is Cn1cccc(C(=O)NC(C)(C)C(=O)O)c1=O.
What is the InChIKey of 2-methyl-2-[(1-methyl-2-oxopyridine-3-carbonyl)amino]propanoic acid?
The InChIKey is STLCFRJJKWPPMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2O4/c1-11(2,10(16)17)12-8(14)7-5-4-6-13(3)9(7)15/h4-6H,1-3H3,(H,12,14)(H,16,17).
What are the key properties of 2-methyl-2-[(1-methyl-2-oxopyridine-3-carbonyl)amino]propanoic acid?
2-methyl-2-[(1-methyl-2-oxopyridine-3-carbonyl)amino]propanoic acid has a molecular weight of 238.24 g/mol, XLogP of -0.02, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-[(1-methyl-2-oxopyridine-3-carbonyl)amino]propanoic acid is sourced from PubChem (CID 120515869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).