2-amino-2-(4-chlorophenyl)-3-fluorobutanoic acid

C10H11ClFNO2 — CID 105490300

IUPAC2-amino-2-(4-chlorophenyl)-3-fluorobutanoic acid
SMILESCC(F)C(N)(C(=O)O)c1ccc(Cl)cc1
InChIInChI=1S/C10H11ClFNO2/c1-6(12)10(13,9(14)15)7-2-4-8(11)5-3-7/h2-6H,13H2,1H3,(H,14,15)
InChIKeyQKXUZUHEQQULGB-UHFFFAOYSA-N
MW231.65 g/mol
LogP1.94
Rot. Bonds3

About 2-amino-2-(4-chlorophenyl)-3-fluorobutanoic acid

2-amino-2-(4-chlorophenyl)-3-fluorobutanoic acid (PubChem CID 105490300) has the molecular formula C10H11ClFNO2 and a molecular weight of 231.65 g/mol. Its IUPAC name is 2-amino-2-(4-chlorophenyl)-3-fluorobutanoic acid.

Molecular Properties

Compound Name2-amino-2-(4-chlorophenyl)-3-fluorobutanoic acid
PubChem CID105490300
Molecular FormulaC10H11ClFNO2
Molecular Weight231.65 g/mol
Exact Mass231.05
IUPAC Name2-amino-2-(4-chlorophenyl)-3-fluorobutanoic acid
SMILESCC(F)C(N)(C(=O)O)c1ccc(Cl)cc1
InChIInChI=1S/C10H11ClFNO2/c1-6(12)10(13,9(14)15)7-2-4-8(11)5-3-7/h2-6H,13H2,1H3,(H,14,15)
InChIKeyQKXUZUHEQQULGB-UHFFFAOYSA-N
XLogP1.94
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.65
LogP ≤ 51.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 2-amino-2-(4-chlorophenyl)-3-fluorobutanoic 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

2-(4-chlorophenyl)-2-hydroxypropanoic acid
CID 10013044
(2R)-2-amino-2-(4-chlorophenyl)-3,3,3-trifluoropropanoic acid
CID 131872455
methyl 2-amino-3-fluoro-2-(4-fluorophenyl)butanoate
CID 105486322
3-(4-chlorophenyl)-3-hydroxy-2-methylbutanoic acid
CID 62396227
(2S)-2-amino-3-(4-chlorophenyl)-3-methylbutanoic acid
CID 67539036
2-[acetyl(propan-2-yl)amino]-2-(4-chlorophenyl)propanoic acid
CID 63703799
2-(4-chlorophenyl)-3,3,3-trifluoro-2-methoxypropanoic acid
CID 84738628
3-amino-2-(4-chlorophenyl)-2-hydroxy-3-oxopropanoic acid
CID 150243688
2-[4-(4-chlorophenyl)phenyl]-2-methylpropanoic acid
CID 82039106
2-[2-(4-chlorophenyl)propan-2-yl]propanedioic acid
CID 90150684
1-amino-1-(4-chlorophenyl)ethanol
CID 23370677
4-chlorobenzoic acid;fluoromethane
CID 174932068

Frequently Asked Questions

What is the IUPAC name of 2-amino-2-(4-chlorophenyl)-3-fluorobutanoic acid?
The IUPAC name of 2-amino-2-(4-chlorophenyl)-3-fluorobutanoic acid (CID 105490300) is 2-amino-2-(4-chlorophenyl)-3-fluorobutanoic acid.
What is the SMILES notation for 2-amino-2-(4-chlorophenyl)-3-fluorobutanoic acid?
The canonical SMILES for 2-amino-2-(4-chlorophenyl)-3-fluorobutanoic acid is CC(F)C(N)(C(=O)O)c1ccc(Cl)cc1.
What is the InChIKey of 2-amino-2-(4-chlorophenyl)-3-fluorobutanoic acid?
The InChIKey is QKXUZUHEQQULGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11ClFNO2/c1-6(12)10(13,9(14)15)7-2-4-8(11)5-3-7/h2-6H,13H2,1H3,(H,14,15).
What are the key properties of 2-amino-2-(4-chlorophenyl)-3-fluorobutanoic acid?
2-amino-2-(4-chlorophenyl)-3-fluorobutanoic acid has a molecular weight of 231.65 g/mol, XLogP of 1.94, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2-(4-chlorophenyl)-3-fluorobutanoic acid is sourced from PubChem (CID 105490300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).