3-amino-2-(6-fluoro-2-hydroxy-3-methylphenyl)propanoic acid

C10H12FNO3 — CID 84679521

IUPAC3-amino-2-(6-fluoro-2-hydroxy-3-methylphenyl)propanoic acid
SMILESCc1ccc(F)c(C(CN)C(=O)O)c1O
InChIInChI=1S/C10H12FNO3/c1-5-2-3-7(11)8(9(5)13)6(4-12)10(14)15/h2-3,6,13H,4,12H2,1H3,(H,14,15)
InChIKeyRDASLOKMUNOUQG-UHFFFAOYSA-N
MW213.21 g/mol
LogP0.97
Rot. Bonds3

About 3-amino-2-(6-fluoro-2-hydroxy-3-methylphenyl)propanoic acid

3-amino-2-(6-fluoro-2-hydroxy-3-methylphenyl)propanoic acid (PubChem CID 84679521) has the molecular formula C10H12FNO3 and a molecular weight of 213.21 g/mol. Its IUPAC name is 3-amino-2-(6-fluoro-2-hydroxy-3-methylphenyl)propanoic acid.

Molecular Properties

Compound Name3-amino-2-(6-fluoro-2-hydroxy-3-methylphenyl)propanoic acid
PubChem CID84679521
Molecular FormulaC10H12FNO3
Molecular Weight213.21 g/mol
Exact Mass213.08
IUPAC Name3-amino-2-(6-fluoro-2-hydroxy-3-methylphenyl)propanoic acid
SMILESCc1ccc(F)c(C(CN)C(=O)O)c1O
InChIInChI=1S/C10H12FNO3/c1-5-2-3-7(11)8(9(5)13)6(4-12)10(14)15/h2-3,6,13H,4,12H2,1H3,(H,14,15)
InChIKeyRDASLOKMUNOUQG-UHFFFAOYSA-N
XLogP0.97
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 ≤ 50.97
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 3-amino-2-(6-fluoro-2-hydroxy-3-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-amino-3-(6-fluoro-2-hydroxy-3-methylphenyl)butanoic acid
CID 84691044
3-amino-2-(3-fluoro-2-methoxy-6-methylphenyl)propanoic acid
CID 84691052
(2S)-2-amino-2-(6-fluoro-2-hydroxy-3-methylphenyl)acetic acid
CID 66510686
3-amino-2-(2,6-difluoro-3,5-dimethylphenyl)propanoic acid
CID 84792620
3-amino-2-(2,6-difluoro-3-hydroxyphenyl)propanoic acid
CID 84785065
ethyl (3R)-3-amino-2-fluoro-3-(6-fluoro-2-hydroxy-3-methylphenyl)propanoate
CID 171253983
2-[(1R)-1,3-diaminopropyl]-3-fluoro-6-methylphenol;hydrochloride
CID 171257321
3-amino-2-(2,6-difluoro-3-propan-2-ylphenyl)propanoic acid
CID 117359416
2-[(1R)-1-amino-2,2-difluoroethyl]-3-fluoro-6-methylphenol;hydrochloride
CID 171253959
2-[(1S)-1-aminoethyl]-3-fluoro-6-methylphenol;hydrochloride
CID 171253947
2-amino-3-(6-fluoro-2-hydroxy-3-methylphenyl)propanoic acid
CID 84679519
3-amino-2-(2-chloro-3-fluoro-4-methylphenyl)propanoic acid
CID 117335337

Frequently Asked Questions

What is the IUPAC name of 3-amino-2-(6-fluoro-2-hydroxy-3-methylphenyl)propanoic acid?
The IUPAC name of 3-amino-2-(6-fluoro-2-hydroxy-3-methylphenyl)propanoic acid (CID 84679521) is 3-amino-2-(6-fluoro-2-hydroxy-3-methylphenyl)propanoic acid.
What is the SMILES notation for 3-amino-2-(6-fluoro-2-hydroxy-3-methylphenyl)propanoic acid?
The canonical SMILES for 3-amino-2-(6-fluoro-2-hydroxy-3-methylphenyl)propanoic acid is Cc1ccc(F)c(C(CN)C(=O)O)c1O.
What is the InChIKey of 3-amino-2-(6-fluoro-2-hydroxy-3-methylphenyl)propanoic acid?
The InChIKey is RDASLOKMUNOUQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12FNO3/c1-5-2-3-7(11)8(9(5)13)6(4-12)10(14)15/h2-3,6,13H,4,12H2,1H3,(H,14,15).
What are the key properties of 3-amino-2-(6-fluoro-2-hydroxy-3-methylphenyl)propanoic acid?
3-amino-2-(6-fluoro-2-hydroxy-3-methylphenyl)propanoic acid has a molecular weight of 213.21 g/mol, XLogP of 0.97, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-2-(6-fluoro-2-hydroxy-3-methylphenyl)propanoic acid is sourced from PubChem (CID 84679521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).