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

C13H16N2O4 — CID 120519188

IUPAC2-[cyclopropyl-(1-methyl-2-oxopyridine-3-carbonyl)amino]propanoic acid
SMILESCC(C(=O)O)N(C(=O)c1cccn(C)c1=O)C1CC1
InChIInChI=1S/C13H16N2O4/c1-8(13(18)19)15(9-5-6-9)12(17)10-4-3-7-14(2)11(10)16/h3-4,7-9H,5-6H2,1-2H3,(H,18,19)
InChIKeyCMULMIHKKQAMKD-UHFFFAOYSA-N
MW264.28 g/mol
LogP0.46
Rot. Bonds4

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

2-[cyclopropyl-(1-methyl-2-oxopyridine-3-carbonyl)amino]propanoic acid (PubChem CID 120519188) has the molecular formula C13H16N2O4 and a molecular weight of 264.28 g/mol. Its IUPAC name is 2-[cyclopropyl-(1-methyl-2-oxopyridine-3-carbonyl)amino]propanoic acid.

Molecular Properties

Compound Name2-[cyclopropyl-(1-methyl-2-oxopyridine-3-carbonyl)amino]propanoic acid
PubChem CID120519188
Molecular FormulaC13H16N2O4
Molecular Weight264.28 g/mol
Exact Mass264.11
IUPAC Name2-[cyclopropyl-(1-methyl-2-oxopyridine-3-carbonyl)amino]propanoic acid
SMILESCC(C(=O)O)N(C(=O)c1cccn(C)c1=O)C1CC1
InChIInChI=1S/C13H16N2O4/c1-8(13(18)19)15(9-5-6-9)12(17)10-4-3-7-14(2)11(10)16/h3-4,7-9H,5-6H2,1-2H3,(H,18,19)
InChIKeyCMULMIHKKQAMKD-UHFFFAOYSA-N
XLogP0.46
TPSA79.61 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.28
LogP ≤ 50.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[cyclopropyl-(1-methyl-2-oxopyridine-3-carbonyl)amino]propanoic acid?
The IUPAC name of 2-[cyclopropyl-(1-methyl-2-oxopyridine-3-carbonyl)amino]propanoic acid (CID 120519188) is 2-[cyclopropyl-(1-methyl-2-oxopyridine-3-carbonyl)amino]propanoic acid.
What is the SMILES notation for 2-[cyclopropyl-(1-methyl-2-oxopyridine-3-carbonyl)amino]propanoic acid?
The canonical SMILES for 2-[cyclopropyl-(1-methyl-2-oxopyridine-3-carbonyl)amino]propanoic acid is CC(C(=O)O)N(C(=O)c1cccn(C)c1=O)C1CC1.
What is the InChIKey of 2-[cyclopropyl-(1-methyl-2-oxopyridine-3-carbonyl)amino]propanoic acid?
The InChIKey is CMULMIHKKQAMKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O4/c1-8(13(18)19)15(9-5-6-9)12(17)10-4-3-7-14(2)11(10)16/h3-4,7-9H,5-6H2,1-2H3,(H,18,19).
What are the key properties of 2-[cyclopropyl-(1-methyl-2-oxopyridine-3-carbonyl)amino]propanoic acid?
2-[cyclopropyl-(1-methyl-2-oxopyridine-3-carbonyl)amino]propanoic acid has a molecular weight of 264.28 g/mol, XLogP of 0.46, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[cyclopropyl-(1-methyl-2-oxopyridine-3-carbonyl)amino]propanoic acid is sourced from PubChem (CID 120519188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).