3-cyclopropyl-3-[(4-oxo-1H-pyridine-3-carbonyl)amino]propanoic acid

C12H14N2O4 — CID 114038732

IUPAC3-cyclopropyl-3-[(4-oxo-1H-pyridine-3-carbonyl)amino]propanoic acid
SMILESO=C(O)CC(NC(=O)c1c[nH]ccc1=O)C1CC1
InChIInChI=1S/C12H14N2O4/c15-10-3-4-13-6-8(10)12(18)14-9(5-11(16)17)7-1-2-7/h3-4,6-7,9H,1-2,5H2,(H,13,15)(H,14,18)(H,16,17)
InChIKeyLEVAXQYEZZIKHI-UHFFFAOYSA-N
MW250.25 g/mol
LogP0.36
Rot. Bonds5

About 3-cyclopropyl-3-[(4-oxo-1H-pyridine-3-carbonyl)amino]propanoic acid

3-cyclopropyl-3-[(4-oxo-1H-pyridine-3-carbonyl)amino]propanoic acid (PubChem CID 114038732) has the molecular formula C12H14N2O4 and a molecular weight of 250.25 g/mol. Its IUPAC name is 3-cyclopropyl-3-[(4-oxo-1H-pyridine-3-carbonyl)amino]propanoic acid.

Molecular Properties

Compound Name3-cyclopropyl-3-[(4-oxo-1H-pyridine-3-carbonyl)amino]propanoic acid
PubChem CID114038732
Molecular FormulaC12H14N2O4
Molecular Weight250.25 g/mol
Exact Mass250.10
IUPAC Name3-cyclopropyl-3-[(4-oxo-1H-pyridine-3-carbonyl)amino]propanoic acid
SMILESO=C(O)CC(NC(=O)c1c[nH]ccc1=O)C1CC1
InChIInChI=1S/C12H14N2O4/c15-10-3-4-13-6-8(10)12(18)14-9(5-11(16)17)7-1-2-7/h3-4,6-7,9H,1-2,5H2,(H,13,15)(H,14,18)(H,16,17)
InChIKeyLEVAXQYEZZIKHI-UHFFFAOYSA-N
XLogP0.36
TPSA99.26 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
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

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Related Compounds

3-cyclopropyl-3-[(2,3-dihydroxybenzoyl)amino]propanoic acid
CID 114343445
N-cyclopropyl-4-oxo-1H-pyridine-3-carboxamide
CID 103336778
3-[(4-chlorobenzoyl)amino]-3-cyclopropylpropanoic acid
CID 81362129
(2S)-4-methoxy-4-oxo-2-[(4-oxo-1H-pyridine-3-carbonyl)amino]butanoic acid
CID 114038684
3-cyclopropyl-3-[(2,3-dichlorobenzoyl)amino]propanoic acid
CID 81362646
3-cyclopropyl-3-[(2,4-difluorobenzoyl)amino]propanoic acid
CID 81362386
4-oxo-N-(thian-4-yl)-1H-pyridine-3-carboxamide
CID 106741440
3-cyclopropyl-3-[(1-methylpyrazole-3-carbonyl)amino]propanoic acid
CID 103117164
N-cyclohexyl-4-oxo-1H-pyridine-3-carboxamide
CID 23633109
N-[(4-hydroxycyclohexyl)methyl]-4-oxo-1H-pyridine-3-carboxamide
CID 106124618
3-cyclopropyl-3-[(5-phenyl-1,2-oxazole-3-carbonyl)amino]propanoic acid
CID 75429233
3-cyclopropyl-3-[[2-[2-(methylamino)ethyl]benzoyl]amino]propanoic acid
CID 104548206

Frequently Asked Questions

What is the IUPAC name of 3-cyclopropyl-3-[(4-oxo-1H-pyridine-3-carbonyl)amino]propanoic acid?
The IUPAC name of 3-cyclopropyl-3-[(4-oxo-1H-pyridine-3-carbonyl)amino]propanoic acid (CID 114038732) is 3-cyclopropyl-3-[(4-oxo-1H-pyridine-3-carbonyl)amino]propanoic acid.
What is the SMILES notation for 3-cyclopropyl-3-[(4-oxo-1H-pyridine-3-carbonyl)amino]propanoic acid?
The canonical SMILES for 3-cyclopropyl-3-[(4-oxo-1H-pyridine-3-carbonyl)amino]propanoic acid is O=C(O)CC(NC(=O)c1c[nH]ccc1=O)C1CC1.
What is the InChIKey of 3-cyclopropyl-3-[(4-oxo-1H-pyridine-3-carbonyl)amino]propanoic acid?
The InChIKey is LEVAXQYEZZIKHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2O4/c15-10-3-4-13-6-8(10)12(18)14-9(5-11(16)17)7-1-2-7/h3-4,6-7,9H,1-2,5H2,(H,13,15)(H,14,18)(H,16,17).
What are the key properties of 3-cyclopropyl-3-[(4-oxo-1H-pyridine-3-carbonyl)amino]propanoic acid?
3-cyclopropyl-3-[(4-oxo-1H-pyridine-3-carbonyl)amino]propanoic acid has a molecular weight of 250.25 g/mol, XLogP of 0.36, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopropyl-3-[(4-oxo-1H-pyridine-3-carbonyl)amino]propanoic acid is sourced from PubChem (CID 114038732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).