4-amino-3-(5-fluoro-2-methoxyphenyl)-3-methylbutanoic acid;hydrochloride

C12H17ClFNO3 — CID 146308272

IUPAC4-amino-3-(5-fluoro-2-methoxyphenyl)-3-methylbutanoic acid;hydrochloride
SMILESCOc1ccc(F)cc1C(C)(CN)CC(=O)O.Cl
InChIInChI=1S/C12H16FNO3.ClH/c1-12(7-14,6-11(15)16)9-5-8(13)3-4-10(9)17-2;/h3-5H,6-7,14H2,1-2H3,(H,15,16);1H
InChIKeyOPFZZAYZNSDXLP-UHFFFAOYSA-N
MW277.72 g/mol
LogP1.95
Rot. Bonds5

About 4-amino-3-(5-fluoro-2-methoxyphenyl)-3-methylbutanoic acid;hydrochloride

4-amino-3-(5-fluoro-2-methoxyphenyl)-3-methylbutanoic acid;hydrochloride (PubChem CID 146308272) has the molecular formula C12H17ClFNO3 and a molecular weight of 277.72 g/mol. Its IUPAC name is 4-amino-3-(5-fluoro-2-methoxyphenyl)-3-methylbutanoic acid;hydrochloride.

Molecular Properties

Compound Name4-amino-3-(5-fluoro-2-methoxyphenyl)-3-methylbutanoic acid;hydrochloride
PubChem CID146308272
Molecular FormulaC12H17ClFNO3
Molecular Weight277.72 g/mol
Exact Mass277.09
IUPAC Name4-amino-3-(5-fluoro-2-methoxyphenyl)-3-methylbutanoic acid;hydrochloride
SMILESCOc1ccc(F)cc1C(C)(CN)CC(=O)O.Cl
InChIInChI=1S/C12H16FNO3.ClH/c1-12(7-14,6-11(15)16)9-5-8(13)3-4-10(9)17-2;/h3-5H,6-7,14H2,1-2H3,(H,15,16);1H
InChIKeyOPFZZAYZNSDXLP-UHFFFAOYSA-N
XLogP1.95
TPSA72.55 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.72
LogP ≤ 51.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 4-amino-3-(5-fluoro-2-methoxyphenyl)-3-methylbutanoic 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

3-cyano-3-(5-fluoro-2-methoxyphenyl)butanoic acid
CID 146308166
1-amino-2-(5-fluoro-2-methoxyphenyl)propan-2-ol
CID 79003647
5-bromo-4-(5-fluoro-2-methoxyphenyl)-4-methylpentan-2-one
CID 69352095
2-(5-fluoro-2-methoxyphenyl)propane-1,2-diamine
CID 116855541
2-(5-fluoro-2-methoxyphenyl)-2-hydrazinylpropanoic acid
CID 82128315
4-amino-3-(4-bromo-2-fluorophenyl)-3-methylbutanoic acid
CID 82972862
5-(5-fluoro-2-methoxyphenyl)-5-methylhexan-2-one
CID 142814279
(2S)-2-(5-fluoro-2-methoxyphenyl)butan-2-ol
CID 97294141
2-fluoro-2-(5-fluoro-2-methoxyphenyl)-3-methylbutan-1-amine
CID 112566851
2-(5-fluoro-2-methoxyphenyl)-N',N',2-trimethylpropanehydrazide
CID 116848201
4-(5-fluoro-2-methoxyphenyl)-2,2-dimethyl-4-oxobutanoic acid
CID 24727272
3-amino-3-(5-tert-butyl-2-methoxyphenyl)butanoic acid
CID 82160103

Frequently Asked Questions

What is the IUPAC name of 4-amino-3-(5-fluoro-2-methoxyphenyl)-3-methylbutanoic acid;hydrochloride?
The IUPAC name of 4-amino-3-(5-fluoro-2-methoxyphenyl)-3-methylbutanoic acid;hydrochloride (CID 146308272) is 4-amino-3-(5-fluoro-2-methoxyphenyl)-3-methylbutanoic acid;hydrochloride.
What is the SMILES notation for 4-amino-3-(5-fluoro-2-methoxyphenyl)-3-methylbutanoic acid;hydrochloride?
The canonical SMILES for 4-amino-3-(5-fluoro-2-methoxyphenyl)-3-methylbutanoic acid;hydrochloride is COc1ccc(F)cc1C(C)(CN)CC(=O)O.Cl.
What is the InChIKey of 4-amino-3-(5-fluoro-2-methoxyphenyl)-3-methylbutanoic acid;hydrochloride?
The InChIKey is OPFZZAYZNSDXLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16FNO3.ClH/c1-12(7-14,6-11(15)16)9-5-8(13)3-4-10(9)17-2;/h3-5H,6-7,14H2,1-2H3,(H,15,16);1H.
What are the key properties of 4-amino-3-(5-fluoro-2-methoxyphenyl)-3-methylbutanoic acid;hydrochloride?
4-amino-3-(5-fluoro-2-methoxyphenyl)-3-methylbutanoic acid;hydrochloride has a molecular weight of 277.72 g/mol, XLogP of 1.95, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-3-(5-fluoro-2-methoxyphenyl)-3-methylbutanoic acid;hydrochloride is sourced from PubChem (CID 146308272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).