3-[cyclopropyl-(2-fluorobenzoyl)amino]propanoic acid

C13H14FNO3 — CID 54926357

IUPAC3-[cyclopropyl-(2-fluorobenzoyl)amino]propanoic acid
SMILESO=C(O)CCN(C(=O)c1ccccc1F)C1CC1
InChIInChI=1S/C13H14FNO3/c14-11-4-2-1-3-10(11)13(18)15(9-5-6-9)8-7-12(16)17/h1-4,9H,5-8H2,(H,16,17)
InChIKeyYRMSMADVYJLEOV-UHFFFAOYSA-N
MW251.26 g/mol
LogP1.90
Rot. Bonds5

About 3-[cyclopropyl-(2-fluorobenzoyl)amino]propanoic acid

3-[cyclopropyl-(2-fluorobenzoyl)amino]propanoic acid (PubChem CID 54926357) has the molecular formula C13H14FNO3 and a molecular weight of 251.26 g/mol. Its IUPAC name is 3-[cyclopropyl-(2-fluorobenzoyl)amino]propanoic acid.

Molecular Properties

Compound Name3-[cyclopropyl-(2-fluorobenzoyl)amino]propanoic acid
PubChem CID54926357
Molecular FormulaC13H14FNO3
Molecular Weight251.26 g/mol
Exact Mass251.10
IUPAC Name3-[cyclopropyl-(2-fluorobenzoyl)amino]propanoic acid
SMILESO=C(O)CCN(C(=O)c1ccccc1F)C1CC1
InChIInChI=1S/C13H14FNO3/c14-11-4-2-1-3-10(11)13(18)15(9-5-6-9)8-7-12(16)17/h1-4,9H,5-8H2,(H,16,17)
InChIKeyYRMSMADVYJLEOV-UHFFFAOYSA-N
XLogP1.90
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.26
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 3-[cyclopropyl-(2-fluorobenzoyl)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

Related Compounds

3-[cyclopropyl-(2-fluoro-4-hydroxybenzoyl)amino]propanoic acid
CID 107674735
N-cyclohexyl-2-fluoro-N-(2-hydroxyethyl)benzamide
CID 54942691
3-[cyclopropyl-(2,3-dimethylbenzoyl)amino]propanoic acid
CID 60844855
3-[cyclopropyl-(2-fluoro-6-methoxybenzoyl)amino]propanoic acid
CID 65434561
3-[carboxymethyl-(2-fluorobenzoyl)amino]propanoic acid
CID 82324752
3-[(2-fluorobenzoyl)-(2-hydroxyethyl)amino]propanoic acid
CID 82324750
N-benzyl-N-cyclopropyl-2,3-difluorobenzamide
CID 62661017
3-[(4-chloro-2-hydroxybenzoyl)-cyclopropylamino]propanoic acid
CID 60845225
N-[(2-aminophenyl)methyl]-N-cyclopropyl-2-fluorobenzamide
CID 43460915
3-[(5-chloro-2-methylbenzoyl)-cyclopropylamino]propanoic acid
CID 82880452
N-butyl-N-cyclopropyl-2,3-difluorobenzamide
CID 55210520
3-[cyclopropyl-(4-fluoro-3-methylbenzoyl)amino]propanoic acid
CID 63209469

Frequently Asked Questions

What is the IUPAC name of 3-[cyclopropyl-(2-fluorobenzoyl)amino]propanoic acid?
The IUPAC name of 3-[cyclopropyl-(2-fluorobenzoyl)amino]propanoic acid (CID 54926357) is 3-[cyclopropyl-(2-fluorobenzoyl)amino]propanoic acid.
What is the SMILES notation for 3-[cyclopropyl-(2-fluorobenzoyl)amino]propanoic acid?
The canonical SMILES for 3-[cyclopropyl-(2-fluorobenzoyl)amino]propanoic acid is O=C(O)CCN(C(=O)c1ccccc1F)C1CC1.
What is the InChIKey of 3-[cyclopropyl-(2-fluorobenzoyl)amino]propanoic acid?
The InChIKey is YRMSMADVYJLEOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14FNO3/c14-11-4-2-1-3-10(11)13(18)15(9-5-6-9)8-7-12(16)17/h1-4,9H,5-8H2,(H,16,17).
What are the key properties of 3-[cyclopropyl-(2-fluorobenzoyl)amino]propanoic acid?
3-[cyclopropyl-(2-fluorobenzoyl)amino]propanoic acid has a molecular weight of 251.26 g/mol, XLogP of 1.90, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[cyclopropyl-(2-fluorobenzoyl)amino]propanoic acid is sourced from PubChem (CID 54926357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).