2-cyclopropyl-2-[(6-oxo-1H-pyridine-3-carbonyl)amino]propanoic acid

C12H14N2O4 — CID 43341258

IUPAC2-cyclopropyl-2-[(6-oxo-1H-pyridine-3-carbonyl)amino]propanoic acid
SMILESCC(NC(=O)c1ccc(=O)[nH]c1)(C(=O)O)C1CC1
InChIInChI=1S/C12H14N2O4/c1-12(11(17)18,8-3-4-8)14-10(16)7-2-5-9(15)13-6-7/h2,5-6,8H,3-4H2,1H3,(H,13,15)(H,14,16)(H,17,18)
InChIKeyACNXCYRHZMARJJ-UHFFFAOYSA-N
MW250.25 g/mol
LogP0.36
Rot. Bonds4

About 2-cyclopropyl-2-[(6-oxo-1H-pyridine-3-carbonyl)amino]propanoic acid

2-cyclopropyl-2-[(6-oxo-1H-pyridine-3-carbonyl)amino]propanoic acid (PubChem CID 43341258) has the molecular formula C12H14N2O4 and a molecular weight of 250.25 g/mol. Its IUPAC name is 2-cyclopropyl-2-[(6-oxo-1H-pyridine-3-carbonyl)amino]propanoic acid.

Molecular Properties

Compound Name2-cyclopropyl-2-[(6-oxo-1H-pyridine-3-carbonyl)amino]propanoic acid
PubChem CID43341258
Molecular FormulaC12H14N2O4
Molecular Weight250.25 g/mol
Exact Mass250.10
IUPAC Name2-cyclopropyl-2-[(6-oxo-1H-pyridine-3-carbonyl)amino]propanoic acid
SMILESCC(NC(=O)c1ccc(=O)[nH]c1)(C(=O)O)C1CC1
InChIInChI=1S/C12H14N2O4/c1-12(11(17)18,8-3-4-8)14-10(16)7-2-5-9(15)13-6-7/h2,5-6,8H,3-4H2,1H3,(H,13,15)(H,14,16)(H,17,18)
InChIKeyACNXCYRHZMARJJ-UHFFFAOYSA-N
XLogP0.36
TPSA99.26 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.25
LogP ≤ 50.36
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 2-cyclopropyl-2-[(6-oxo-1H-pyridine-3-carbonyl)amino]propanoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-2-[(6-oxo-1H-pyridine-3-carbonyl)amino]propanoic acid?
The IUPAC name of 2-cyclopropyl-2-[(6-oxo-1H-pyridine-3-carbonyl)amino]propanoic acid (CID 43341258) is 2-cyclopropyl-2-[(6-oxo-1H-pyridine-3-carbonyl)amino]propanoic acid.
What is the SMILES notation for 2-cyclopropyl-2-[(6-oxo-1H-pyridine-3-carbonyl)amino]propanoic acid?
The canonical SMILES for 2-cyclopropyl-2-[(6-oxo-1H-pyridine-3-carbonyl)amino]propanoic acid is CC(NC(=O)c1ccc(=O)[nH]c1)(C(=O)O)C1CC1.
What is the InChIKey of 2-cyclopropyl-2-[(6-oxo-1H-pyridine-3-carbonyl)amino]propanoic acid?
The InChIKey is ACNXCYRHZMARJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2O4/c1-12(11(17)18,8-3-4-8)14-10(16)7-2-5-9(15)13-6-7/h2,5-6,8H,3-4H2,1H3,(H,13,15)(H,14,16)(H,17,18).
What are the key properties of 2-cyclopropyl-2-[(6-oxo-1H-pyridine-3-carbonyl)amino]propanoic acid?
2-cyclopropyl-2-[(6-oxo-1H-pyridine-3-carbonyl)amino]propanoic acid has a molecular weight of 250.25 g/mol, XLogP of 0.36, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-2-[(6-oxo-1H-pyridine-3-carbonyl)amino]propanoic acid is sourced from PubChem (CID 43341258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).