3-amino-2-cyclobutyl-2-(4-fluorophenyl)propanoic acid

C13H16FNO2 — CID 106490917

IUPAC3-amino-2-cyclobutyl-2-(4-fluorophenyl)propanoic acid
SMILESNCC(C(=O)O)(c1ccc(F)cc1)C1CCC1
InChIInChI=1S/C13H16FNO2/c14-11-6-4-10(5-7-11)13(8-15,12(16)17)9-2-1-3-9/h4-7,9H,1-3,8,15H2,(H,16,17)
InChIKeyMHQXIRIQBWAKBB-UHFFFAOYSA-N
MW237.27 g/mol
LogP1.91
Rot. Bonds4

About 3-amino-2-cyclobutyl-2-(4-fluorophenyl)propanoic acid

3-amino-2-cyclobutyl-2-(4-fluorophenyl)propanoic acid (PubChem CID 106490917) has the molecular formula C13H16FNO2 and a molecular weight of 237.27 g/mol. Its IUPAC name is 3-amino-2-cyclobutyl-2-(4-fluorophenyl)propanoic acid.

Molecular Properties

Compound Name3-amino-2-cyclobutyl-2-(4-fluorophenyl)propanoic acid
PubChem CID106490917
Molecular FormulaC13H16FNO2
Molecular Weight237.27 g/mol
Exact Mass237.12
IUPAC Name3-amino-2-cyclobutyl-2-(4-fluorophenyl)propanoic acid
SMILESNCC(C(=O)O)(c1ccc(F)cc1)C1CCC1
InChIInChI=1S/C13H16FNO2/c14-11-6-4-10(5-7-11)13(8-15,12(16)17)9-2-1-3-9/h4-7,9H,1-3,8,15H2,(H,16,17)
InChIKeyMHQXIRIQBWAKBB-UHFFFAOYSA-N
XLogP1.91
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.27
LogP ≤ 51.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 3-amino-2-cyclobutyl-2-(4-fluorophenyl)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 3-amino-2-cyclobutyl-2-(4-fluorophenyl)propanoic acid?
The IUPAC name of 3-amino-2-cyclobutyl-2-(4-fluorophenyl)propanoic acid (CID 106490917) is 3-amino-2-cyclobutyl-2-(4-fluorophenyl)propanoic acid.
What is the SMILES notation for 3-amino-2-cyclobutyl-2-(4-fluorophenyl)propanoic acid?
The canonical SMILES for 3-amino-2-cyclobutyl-2-(4-fluorophenyl)propanoic acid is NCC(C(=O)O)(c1ccc(F)cc1)C1CCC1.
What is the InChIKey of 3-amino-2-cyclobutyl-2-(4-fluorophenyl)propanoic acid?
The InChIKey is MHQXIRIQBWAKBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16FNO2/c14-11-6-4-10(5-7-11)13(8-15,12(16)17)9-2-1-3-9/h4-7,9H,1-3,8,15H2,(H,16,17).
What are the key properties of 3-amino-2-cyclobutyl-2-(4-fluorophenyl)propanoic acid?
3-amino-2-cyclobutyl-2-(4-fluorophenyl)propanoic acid has a molecular weight of 237.27 g/mol, XLogP of 1.91, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-2-cyclobutyl-2-(4-fluorophenyl)propanoic acid is sourced from PubChem (CID 106490917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).