2-amino-2-(4-fluoro-3-methylphenyl)propanoic acid;hydrochloride

C10H13ClFNO2 — CID 82129155

IUPAC2-amino-2-(4-fluoro-3-methylphenyl)propanoic acid;hydrochloride
SMILESCc1cc(C(C)(N)C(=O)O)ccc1F.Cl
InChIInChI=1S/C10H12FNO2.ClH/c1-6-5-7(3-4-8(6)11)10(2,12)9(13)14;/h3-5H,12H2,1-2H3,(H,13,14);1H
InChIKeyOELOWCKQOGRAAI-UHFFFAOYSA-N
MW233.67 g/mol
LogP1.81
Rot. Bonds2

About 2-amino-2-(4-fluoro-3-methylphenyl)propanoic acid;hydrochloride

2-amino-2-(4-fluoro-3-methylphenyl)propanoic acid;hydrochloride (PubChem CID 82129155) has the molecular formula C10H13ClFNO2 and a molecular weight of 233.67 g/mol. Its IUPAC name is 2-amino-2-(4-fluoro-3-methylphenyl)propanoic acid;hydrochloride.

Molecular Properties

Compound Name2-amino-2-(4-fluoro-3-methylphenyl)propanoic acid;hydrochloride
PubChem CID82129155
Molecular FormulaC10H13ClFNO2
Molecular Weight233.67 g/mol
Exact Mass233.06
IUPAC Name2-amino-2-(4-fluoro-3-methylphenyl)propanoic acid;hydrochloride
SMILESCc1cc(C(C)(N)C(=O)O)ccc1F.Cl
InChIInChI=1S/C10H12FNO2.ClH/c1-6-5-7(3-4-8(6)11)10(2,12)9(13)14;/h3-5H,12H2,1-2H3,(H,13,14);1H
InChIKeyOELOWCKQOGRAAI-UHFFFAOYSA-N
XLogP1.81
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.67
LogP ≤ 51.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 2-amino-2-(4-fluoro-3-methylphenyl)propanoic acid;hydrochloride 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-amino-2-(3,4-dimethylphenyl)propanoic acid
CID 24711823
2-amino-2-(3-fluoro-4-hydroxyphenyl)propanoic acid
CID 55272926
(2S)-2-amino-2-(4-chloro-3-fluorophenyl)propanoic acid
CID 130713709
2-amino-2-(4-methoxy-3-methylphenyl)propanoic acid
CID 82098466
(2S)-2-amino-2-(3,4-dichlorophenyl)propanoic acid;hydrochloride
CID 68715954
(2R)-2-amino-2-(3-methyl-4-phosphonophenyl)propanoic acid
CID 92849766
2-(4-fluoro-3-methylphenyl)butan-2-amine
CID 62791443
3-(4-fluoro-3-methylphenyl)-3-methylpentanedioic acid
CID 82131952
(2S)-2-amino-2-(2-fluoro-5-methylphenyl)propanoic acid
CID 130985670
(2R)-2-amino-2-(3,5-difluorophenyl)propanoic acid
CID 91290117
(2R)-2-amino-2-(3-fluoro-5-methylphenyl)propanoic acid
CID 130657350
2-(4-fluoro-3-methylphenyl)propan-2-ol
CID 20785410

Frequently Asked Questions

What is the IUPAC name of 2-amino-2-(4-fluoro-3-methylphenyl)propanoic acid;hydrochloride?
The IUPAC name of 2-amino-2-(4-fluoro-3-methylphenyl)propanoic acid;hydrochloride (CID 82129155) is 2-amino-2-(4-fluoro-3-methylphenyl)propanoic acid;hydrochloride.
What is the SMILES notation for 2-amino-2-(4-fluoro-3-methylphenyl)propanoic acid;hydrochloride?
The canonical SMILES for 2-amino-2-(4-fluoro-3-methylphenyl)propanoic acid;hydrochloride is Cc1cc(C(C)(N)C(=O)O)ccc1F.Cl.
What is the InChIKey of 2-amino-2-(4-fluoro-3-methylphenyl)propanoic acid;hydrochloride?
The InChIKey is OELOWCKQOGRAAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12FNO2.ClH/c1-6-5-7(3-4-8(6)11)10(2,12)9(13)14;/h3-5H,12H2,1-2H3,(H,13,14);1H.
What are the key properties of 2-amino-2-(4-fluoro-3-methylphenyl)propanoic acid;hydrochloride?
2-amino-2-(4-fluoro-3-methylphenyl)propanoic acid;hydrochloride has a molecular weight of 233.67 g/mol, XLogP of 1.81, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2-(4-fluoro-3-methylphenyl)propanoic acid;hydrochloride is sourced from PubChem (CID 82129155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).