(2S)-2-amino-2-(4-chloro-3-fluorophenyl)propanoic acid

C9H9ClFNO2 — CID 130713709

IUPAC(2S)-2-amino-2-(4-chloro-3-fluorophenyl)propanoic acid
SMILESC[C@@](N)(C(=O)O)c1ccc(Cl)c(F)c1
InChIInChI=1S/C9H9ClFNO2/c1-9(12,8(13)14)5-2-3-6(10)7(11)4-5/h2-4H,12H2,1H3,(H,13,14)/t9-/m0/s1
InChIKeyWVHKERNPTSFERV-VIFPVBQESA-N
MW217.63 g/mol
LogP1.74
Rot. Bonds2

About (2S)-2-amino-2-(4-chloro-3-fluorophenyl)propanoic acid

(2S)-2-amino-2-(4-chloro-3-fluorophenyl)propanoic acid (PubChem CID 130713709) has the molecular formula C9H9ClFNO2 and a molecular weight of 217.63 g/mol. Its IUPAC name is (2S)-2-amino-2-(4-chloro-3-fluorophenyl)propanoic acid.

Molecular Properties

Compound Name(2S)-2-amino-2-(4-chloro-3-fluorophenyl)propanoic acid
PubChem CID130713709
Molecular FormulaC9H9ClFNO2
Molecular Weight217.63 g/mol
Exact Mass217.03
IUPAC Name(2S)-2-amino-2-(4-chloro-3-fluorophenyl)propanoic acid
SMILESC[C@@](N)(C(=O)O)c1ccc(Cl)c(F)c1
InChIInChI=1S/C9H9ClFNO2/c1-9(12,8(13)14)5-2-3-6(10)7(11)4-5/h2-4H,12H2,1H3,(H,13,14)/t9-/m0/s1
InChIKeyWVHKERNPTSFERV-VIFPVBQESA-N
XLogP1.74
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.63
LogP ≤ 51.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze (2S)-2-amino-2-(4-chloro-3-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

Related Compounds

(2S)-2-amino-2-(3,4-dichlorophenyl)propanoic acid;hydrochloride
CID 68715954
2-amino-2-(3-fluoro-4-hydroxyphenyl)propanoic acid
CID 55272926
(2S)-2-amino-2-(4-chloro-3-iodophenyl)propanoic acid
CID 130701560
2-amino-2-(4-fluoro-3-methylphenyl)propanoic acid;hydrochloride
CID 82129155
2-amino-2-(3,4-dimethylphenyl)propanoic acid
CID 24711823
2-amino-N-(4-chloro-3-fluorophenyl)-2-phenylpropanamide
CID 62487359
(2R)-2-amino-2-(3,5-difluorophenyl)propanoic acid
CID 91290117
3-amino-2-(4-chloro-3-fluorophenyl)-2-methylpropan-1-ol
CID 83821833
4-chloro-3-fluorobenzoic acid
CID 2736536
1-chloro-2-fluoro-4-(2-methylbutan-2-yl)benzene
CID 134402395
2-(4-chloro-3-fluoroanilino)-2-methylbutanoic acid
CID 114997572
(2R)-2-amino-2-anthracen-2-ylpropanoic acid
CID 100968375

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-2-(4-chloro-3-fluorophenyl)propanoic acid?
The IUPAC name of (2S)-2-amino-2-(4-chloro-3-fluorophenyl)propanoic acid (CID 130713709) is (2S)-2-amino-2-(4-chloro-3-fluorophenyl)propanoic acid.
What is the SMILES notation for (2S)-2-amino-2-(4-chloro-3-fluorophenyl)propanoic acid?
The canonical SMILES for (2S)-2-amino-2-(4-chloro-3-fluorophenyl)propanoic acid is C[C@@](N)(C(=O)O)c1ccc(Cl)c(F)c1.
What is the InChIKey of (2S)-2-amino-2-(4-chloro-3-fluorophenyl)propanoic acid?
The InChIKey is WVHKERNPTSFERV-VIFPVBQESA-N. The full InChI is InChI=1S/C9H9ClFNO2/c1-9(12,8(13)14)5-2-3-6(10)7(11)4-5/h2-4H,12H2,1H3,(H,13,14)/t9-/m0/s1.
What are the key properties of (2S)-2-amino-2-(4-chloro-3-fluorophenyl)propanoic acid?
(2S)-2-amino-2-(4-chloro-3-fluorophenyl)propanoic acid has a molecular weight of 217.63 g/mol, XLogP of 1.74, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-2-(4-chloro-3-fluorophenyl)propanoic acid is sourced from PubChem (CID 130713709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).