1-[(2-fluorobenzoyl)amino]cyclobutane-1-carboxylic acid

C12H12FNO3 — CID 81164018

IUPAC1-[(2-fluorobenzoyl)amino]cyclobutane-1-carboxylic acid
SMILESO=C(NC1(C(=O)O)CCC1)c1ccccc1F
InChIInChI=1S/C12H12FNO3/c13-9-5-2-1-4-8(9)10(15)14-12(11(16)17)6-3-7-12/h1-2,4-5H,3,6-7H2,(H,14,15)(H,16,17)
InChIKeyFWSZGXPNOKADKU-UHFFFAOYSA-N
MW237.23 g/mol
LogP1.56
Rot. Bonds3

About 1-[(2-fluorobenzoyl)amino]cyclobutane-1-carboxylic acid

1-[(2-fluorobenzoyl)amino]cyclobutane-1-carboxylic acid (PubChem CID 81164018) has the molecular formula C12H12FNO3 and a molecular weight of 237.23 g/mol. Its IUPAC name is 1-[(2-fluorobenzoyl)amino]cyclobutane-1-carboxylic acid.

Molecular Properties

Compound Name1-[(2-fluorobenzoyl)amino]cyclobutane-1-carboxylic acid
PubChem CID81164018
Molecular FormulaC12H12FNO3
Molecular Weight237.23 g/mol
Exact Mass237.08
IUPAC Name1-[(2-fluorobenzoyl)amino]cyclobutane-1-carboxylic acid
SMILESO=C(NC1(C(=O)O)CCC1)c1ccccc1F
InChIInChI=1S/C12H12FNO3/c13-9-5-2-1-4-8(9)10(15)14-12(11(16)17)6-3-7-12/h1-2,4-5H,3,6-7H2,(H,14,15)(H,16,17)
InChIKeyFWSZGXPNOKADKU-UHFFFAOYSA-N
XLogP1.56
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.23
LogP ≤ 51.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 1-[(2-fluorobenzoyl)amino]cyclobutane-1-carboxylic 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

1-[(2,6-difluorobenzoyl)amino]cyclopentane-1-carboxylic acid
CID 43162964
1-[(2,4-difluorobenzoyl)amino]cyclopentane-1-carboxylic acid
CID 43329545
1-[[2-(difluoromethoxy)benzoyl]amino]cyclobutane-1-carboxylic acid
CID 81158711
1-[(2,4-difluorobenzoyl)amino]cyclohexane-1-carboxylic acid
CID 24708713
1-[(2-methylbenzoyl)amino]cycloheptane-1-carboxylic acid
CID 43341683
1-[(4-bromo-2-fluorobenzoyl)amino]cyclopentane-1-carboxylic acid
CID 43329492
1-[(3-fluoropyridine-4-carbonyl)amino]cycloheptane-1-carboxylic acid
CID 64950656
1-[(2-ethylsulfonylbenzoyl)amino]cyclobutane-1-carboxylic acid
CID 81163710
2-fluoro-N-[1-(2-fluorophenyl)cyclopentyl]benzamide
CID 110444138
1-[(2-fluorophenyl)methylcarbamoylamino]cyclobutane-1-carboxylic acid
CID 81162721
N-[1-[(2,6-dimethylphenyl)carbamoyl]cyclohexyl]-2-fluorobenzamide
CID 1494005
1-[(3-chloro-2-fluorobenzoyl)amino]cyclopropane-1-carboxylic acid
CID 81266250

Frequently Asked Questions

What is the IUPAC name of 1-[(2-fluorobenzoyl)amino]cyclobutane-1-carboxylic acid?
The IUPAC name of 1-[(2-fluorobenzoyl)amino]cyclobutane-1-carboxylic acid (CID 81164018) is 1-[(2-fluorobenzoyl)amino]cyclobutane-1-carboxylic acid.
What is the SMILES notation for 1-[(2-fluorobenzoyl)amino]cyclobutane-1-carboxylic acid?
The canonical SMILES for 1-[(2-fluorobenzoyl)amino]cyclobutane-1-carboxylic acid is O=C(NC1(C(=O)O)CCC1)c1ccccc1F.
What is the InChIKey of 1-[(2-fluorobenzoyl)amino]cyclobutane-1-carboxylic acid?
The InChIKey is FWSZGXPNOKADKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12FNO3/c13-9-5-2-1-4-8(9)10(15)14-12(11(16)17)6-3-7-12/h1-2,4-5H,3,6-7H2,(H,14,15)(H,16,17).
What are the key properties of 1-[(2-fluorobenzoyl)amino]cyclobutane-1-carboxylic acid?
1-[(2-fluorobenzoyl)amino]cyclobutane-1-carboxylic acid has a molecular weight of 237.23 g/mol, XLogP of 1.56, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-fluorobenzoyl)amino]cyclobutane-1-carboxylic acid is sourced from PubChem (CID 81164018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).