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

C12H16N2O5 — CID 120531726

IUPAC3-methoxy-2-methyl-2-[(1-methyl-2-oxopyridine-3-carbonyl)amino]propanoic acid
SMILESCOCC(C)(NC(=O)c1cccn(C)c1=O)C(=O)O
InChIInChI=1S/C12H16N2O5/c1-12(7-19-3,11(17)18)13-9(15)8-5-4-6-14(2)10(8)16/h4-6H,7H2,1-3H3,(H,13,15)(H,17,18)
InChIKeyXRTXFKRRCVGQKD-UHFFFAOYSA-N
MW268.27 g/mol
LogP-0.40
Rot. Bonds5

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

3-methoxy-2-methyl-2-[(1-methyl-2-oxopyridine-3-carbonyl)amino]propanoic acid (PubChem CID 120531726) has the molecular formula C12H16N2O5 and a molecular weight of 268.27 g/mol. Its IUPAC name is 3-methoxy-2-methyl-2-[(1-methyl-2-oxopyridine-3-carbonyl)amino]propanoic acid.

Molecular Properties

Compound Name3-methoxy-2-methyl-2-[(1-methyl-2-oxopyridine-3-carbonyl)amino]propanoic acid
PubChem CID120531726
Molecular FormulaC12H16N2O5
Molecular Weight268.27 g/mol
Exact Mass268.11
IUPAC Name3-methoxy-2-methyl-2-[(1-methyl-2-oxopyridine-3-carbonyl)amino]propanoic acid
SMILESCOCC(C)(NC(=O)c1cccn(C)c1=O)C(=O)O
InChIInChI=1S/C12H16N2O5/c1-12(7-19-3,11(17)18)13-9(15)8-5-4-6-14(2)10(8)16/h4-6H,7H2,1-3H3,(H,13,15)(H,17,18)
InChIKeyXRTXFKRRCVGQKD-UHFFFAOYSA-N
XLogP-0.40
TPSA97.63 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.27
LogP ≤ 5-0.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-methyl-2-[(1-methyl-2-oxopyridine-3-carbonyl)amino]propanoic acid
CID 120515869
2-[(2-ethylbenzoyl)amino]-3-methoxy-2-methylpropanoic acid
CID 120558563
2-(2,3-dihydro-1H-indene-4-carbonylamino)-3-methoxy-2-methylpropanoic acid
CID 120688590
2-methyl-2-[4-[(1-methyl-2-oxopyridine-3-carbonyl)amino]pyrazol-1-yl]propanoic acid
CID 120696985
2-[(2-chloro-4,5-dimethylbenzoyl)amino]-3-methoxy-2-methylpropanoic acid
CID 120531764
methyl 2-[(1-methyl-2-oxopyridine-3-carbonyl)amino]benzoate
CID 110692910
2-[(1,3-dimethyl-6-phenylpyrazolo[5,4-b]pyridine-4-carbonyl)amino]-3-methoxy-2-methylpropanoic acid
CID 120531897
3-methoxy-2-methyl-2-[[4-(propan-2-ylcarbamoyl)benzoyl]amino]propanoic acid
CID 120531734
methyl 4-[(1-methyl-2-oxopyridine-3-carbonyl)amino]benzoate
CID 110692912
3-acetyl-1-methylpyridin-2-one
CID 82527252
3-methoxy-2-methyl-2-[(3-methyl-2-oxo-1H-benzimidazole-5-carbonyl)amino]propanoic acid
CID 120531806
8-[(1-methyl-2-oxopyridine-3-carbonyl)amino]octanoic acid
CID 120535591

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-2-methyl-2-[(1-methyl-2-oxopyridine-3-carbonyl)amino]propanoic acid?
The IUPAC name of 3-methoxy-2-methyl-2-[(1-methyl-2-oxopyridine-3-carbonyl)amino]propanoic acid (CID 120531726) is 3-methoxy-2-methyl-2-[(1-methyl-2-oxopyridine-3-carbonyl)amino]propanoic acid.
What is the SMILES notation for 3-methoxy-2-methyl-2-[(1-methyl-2-oxopyridine-3-carbonyl)amino]propanoic acid?
The canonical SMILES for 3-methoxy-2-methyl-2-[(1-methyl-2-oxopyridine-3-carbonyl)amino]propanoic acid is COCC(C)(NC(=O)c1cccn(C)c1=O)C(=O)O.
What is the InChIKey of 3-methoxy-2-methyl-2-[(1-methyl-2-oxopyridine-3-carbonyl)amino]propanoic acid?
The InChIKey is XRTXFKRRCVGQKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O5/c1-12(7-19-3,11(17)18)13-9(15)8-5-4-6-14(2)10(8)16/h4-6H,7H2,1-3H3,(H,13,15)(H,17,18).
What are the key properties of 3-methoxy-2-methyl-2-[(1-methyl-2-oxopyridine-3-carbonyl)amino]propanoic acid?
3-methoxy-2-methyl-2-[(1-methyl-2-oxopyridine-3-carbonyl)amino]propanoic acid has a molecular weight of 268.27 g/mol, XLogP of -0.40, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-2-methyl-2-[(1-methyl-2-oxopyridine-3-carbonyl)amino]propanoic acid is sourced from PubChem (CID 120531726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).