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

C10H12FNO3 — CID 84679519

IUPAC2-amino-3-(6-fluoro-2-hydroxy-3-methylphenyl)propanoic acid
SMILESCc1ccc(F)c(CC(N)C(=O)O)c1O
InChIInChI=1S/C10H12FNO3/c1-5-2-3-7(11)6(9(5)13)4-8(12)10(14)15/h2-3,8,13H,4,12H2,1H3,(H,14,15)
InChIKeySYIFNWHDWWUIMT-UHFFFAOYSA-N
MW213.21 g/mol
LogP0.79
Rot. Bonds3

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

2-amino-3-(6-fluoro-2-hydroxy-3-methylphenyl)propanoic acid (PubChem CID 84679519) has the molecular formula C10H12FNO3 and a molecular weight of 213.21 g/mol. Its IUPAC name is 2-amino-3-(6-fluoro-2-hydroxy-3-methylphenyl)propanoic acid.

Molecular Properties

Compound Name2-amino-3-(6-fluoro-2-hydroxy-3-methylphenyl)propanoic acid
PubChem CID84679519
Molecular FormulaC10H12FNO3
Molecular Weight213.21 g/mol
Exact Mass213.08
IUPAC Name2-amino-3-(6-fluoro-2-hydroxy-3-methylphenyl)propanoic acid
SMILESCc1ccc(F)c(CC(N)C(=O)O)c1O
InChIInChI=1S/C10H12FNO3/c1-5-2-3-7(11)6(9(5)13)4-8(12)10(14)15/h2-3,8,13H,4,12H2,1H3,(H,14,15)
InChIKeySYIFNWHDWWUIMT-UHFFFAOYSA-N
XLogP0.79
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 ≤ 50.79
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-amino-3-(2,6-difluoro-3-methylphenyl)propanoic acid
CID 68718009
2-amino-3-(2-hydroxy-3-methyl-6-propan-2-ylphenyl)propanoic acid
CID 84700094
(2S)-2-amino-3-(2,6-difluoro-3-hydroxyphenyl)propanoic acid
CID 131883206
2-amino-3-(2,3,6-trimethylphenyl)propanoic acid
CID 122505443
2-amino-3-(2,6-difluoro-3-propan-2-ylphenyl)propanoic acid
CID 117359427
2-amino-3-(4-fluoro-2,6-dimethylphenyl)propanoic acid
CID 170879455
(2S)-2-amino-3-(2,6-difluoro-3-methoxyphenyl)propanoic acid
CID 93478159
(2S)-2-amino-2-(6-fluoro-2-hydroxy-3-methylphenyl)acetic acid
CID 66510686
(2S)-2-amino-3-(4-fluoro-3-methylphenyl)propanoic acid;hydrochloride
CID 162344184
2-amino-3-(3-bromo-5-fluoro-2-hydroxy-6-methylphenyl)propanoic acid
CID 117471347
(2R)-2-amino-3-(2,6-dimethylphenyl)propanoic acid;hydrochloride
CID 154728811
(2R)-2-amino-3-(2-hydroxy-3-methylphenyl)propanoic acid
CID 67254356

Frequently Asked Questions

What is the IUPAC name of 2-amino-3-(6-fluoro-2-hydroxy-3-methylphenyl)propanoic acid?
The IUPAC name of 2-amino-3-(6-fluoro-2-hydroxy-3-methylphenyl)propanoic acid (CID 84679519) is 2-amino-3-(6-fluoro-2-hydroxy-3-methylphenyl)propanoic acid.
What is the SMILES notation for 2-amino-3-(6-fluoro-2-hydroxy-3-methylphenyl)propanoic acid?
The canonical SMILES for 2-amino-3-(6-fluoro-2-hydroxy-3-methylphenyl)propanoic acid is Cc1ccc(F)c(CC(N)C(=O)O)c1O.
What is the InChIKey of 2-amino-3-(6-fluoro-2-hydroxy-3-methylphenyl)propanoic acid?
The InChIKey is SYIFNWHDWWUIMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12FNO3/c1-5-2-3-7(11)6(9(5)13)4-8(12)10(14)15/h2-3,8,13H,4,12H2,1H3,(H,14,15).
What are the key properties of 2-amino-3-(6-fluoro-2-hydroxy-3-methylphenyl)propanoic acid?
2-amino-3-(6-fluoro-2-hydroxy-3-methylphenyl)propanoic acid has a molecular weight of 213.21 g/mol, XLogP of 0.79, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-(6-fluoro-2-hydroxy-3-methylphenyl)propanoic acid is sourced from PubChem (CID 84679519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).