3-amino-3-(5-fluoro-4-hydroxy-2-methylphenyl)propanoic acid

C10H12FNO3 — CID 84782589

IUPAC3-amino-3-(5-fluoro-4-hydroxy-2-methylphenyl)propanoic acid
SMILESCc1cc(O)c(F)cc1C(N)CC(=O)O
InChIInChI=1S/C10H12FNO3/c1-5-2-9(13)7(11)3-6(5)8(12)4-10(14)15/h2-3,8,13H,4,12H2,1H3,(H,14,15)
InChIKeyIVKQARHMPBTZKO-UHFFFAOYSA-N
MW213.21 g/mol
LogP1.31
Rot. Bonds3

About 3-amino-3-(5-fluoro-4-hydroxy-2-methylphenyl)propanoic acid

3-amino-3-(5-fluoro-4-hydroxy-2-methylphenyl)propanoic acid (PubChem CID 84782589) has the molecular formula C10H12FNO3 and a molecular weight of 213.21 g/mol. Its IUPAC name is 3-amino-3-(5-fluoro-4-hydroxy-2-methylphenyl)propanoic acid.

Molecular Properties

Compound Name3-amino-3-(5-fluoro-4-hydroxy-2-methylphenyl)propanoic acid
PubChem CID84782589
Molecular FormulaC10H12FNO3
Molecular Weight213.21 g/mol
Exact Mass213.08
IUPAC Name3-amino-3-(5-fluoro-4-hydroxy-2-methylphenyl)propanoic acid
SMILESCc1cc(O)c(F)cc1C(N)CC(=O)O
InChIInChI=1S/C10H12FNO3/c1-5-2-9(13)7(11)3-6(5)8(12)4-10(14)15/h2-3,8,13H,4,12H2,1H3,(H,14,15)
InChIKeyIVKQARHMPBTZKO-UHFFFAOYSA-N
XLogP1.31
TPSA83.55 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.21
LogP ≤ 51.31
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 3-amino-3-(5-fluoro-4-hydroxy-2-methylphenyl)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

4-(1-amino-2-hydroxyethyl)-2-fluoro-5-methylphenol
CID 84769631
3-amino-3-(5-fluoro-2-methoxy-4-methylphenyl)propanoic acid
CID 84691033
3-amino-3-(5-fluoro-2-hydroxy-4-methylsulfonylphenyl)propanoic acid
CID 117443870
4-amino-4-(5-fluoro-2-hydroxy-4-methylphenyl)butanoic acid
CID 84691030
(3R)-3-amino-3-(2-bromo-4,5-difluorophenyl)propanoic acid
CID 131501143
(3R)-3-amino-3-(2-fluoro-5-hydroxyphenyl)propanoic acid
CID 55270420
3-amino-3-(2-bromo-4,5-difluorophenyl)propanoic acid
CID 117449258
4-(2-amino-1-hydroxyethyl)-2-fluoro-5-methylphenol
CID 84769635
3-amino-3-(5-ethyl-2,4-dihydroxyphenyl)propanoic acid
CID 84790025
3-amino-3-(3,5-difluoro-2-hydroxyphenyl)propanoic acid
CID 53417356
(3S)-3-amino-3-(5-fluoro-2-hydroxyphenyl)propanoic acid;hydrochloride
CID 162344213
3-amino-3-(3-fluoro-4-methylphenyl)propanoic acid
CID 18526009

Frequently Asked Questions

What is the IUPAC name of 3-amino-3-(5-fluoro-4-hydroxy-2-methylphenyl)propanoic acid?
The IUPAC name of 3-amino-3-(5-fluoro-4-hydroxy-2-methylphenyl)propanoic acid (CID 84782589) is 3-amino-3-(5-fluoro-4-hydroxy-2-methylphenyl)propanoic acid.
What is the SMILES notation for 3-amino-3-(5-fluoro-4-hydroxy-2-methylphenyl)propanoic acid?
The canonical SMILES for 3-amino-3-(5-fluoro-4-hydroxy-2-methylphenyl)propanoic acid is Cc1cc(O)c(F)cc1C(N)CC(=O)O.
What is the InChIKey of 3-amino-3-(5-fluoro-4-hydroxy-2-methylphenyl)propanoic acid?
The InChIKey is IVKQARHMPBTZKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12FNO3/c1-5-2-9(13)7(11)3-6(5)8(12)4-10(14)15/h2-3,8,13H,4,12H2,1H3,(H,14,15).
What are the key properties of 3-amino-3-(5-fluoro-4-hydroxy-2-methylphenyl)propanoic acid?
3-amino-3-(5-fluoro-4-hydroxy-2-methylphenyl)propanoic acid has a molecular weight of 213.21 g/mol, XLogP of 1.31, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-3-(5-fluoro-4-hydroxy-2-methylphenyl)propanoic acid is sourced from PubChem (CID 84782589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).