(2S)-2-amino-2-(6-fluoro-2-hydroxy-3-methylphenyl)acetic acid

C9H10FNO3 — CID 66510686

IUPAC(2S)-2-amino-2-(6-fluoro-2-hydroxy-3-methylphenyl)acetic acid
SMILESCc1ccc(F)c([C@H](N)C(=O)O)c1O
InChIInChI=1S/C9H10FNO3/c1-4-2-3-5(10)6(8(4)12)7(11)9(13)14/h2-3,7,12H,11H2,1H3,(H,13,14)/t7-/m0/s1
InChIKeyJCJSOKOTCHSXAN-ZETCQYMHSA-N
MW199.18 g/mol
LogP0.92
Rot. Bonds2

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

(2S)-2-amino-2-(6-fluoro-2-hydroxy-3-methylphenyl)acetic acid (PubChem CID 66510686) has the molecular formula C9H10FNO3 and a molecular weight of 199.18 g/mol. Its IUPAC name is (2S)-2-amino-2-(6-fluoro-2-hydroxy-3-methylphenyl)acetic acid.

Molecular Properties

Compound Name(2S)-2-amino-2-(6-fluoro-2-hydroxy-3-methylphenyl)acetic acid
PubChem CID66510686
Molecular FormulaC9H10FNO3
Molecular Weight199.18 g/mol
Exact Mass199.06
IUPAC Name(2S)-2-amino-2-(6-fluoro-2-hydroxy-3-methylphenyl)acetic acid
SMILESCc1ccc(F)c([C@H](N)C(=O)O)c1O
InChIInChI=1S/C9H10FNO3/c1-4-2-3-5(10)6(8(4)12)7(11)9(13)14/h2-3,7,12H,11H2,1H3,(H,13,14)/t7-/m0/s1
InChIKeyJCJSOKOTCHSXAN-ZETCQYMHSA-N
XLogP0.92
TPSA83.55 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.18
LogP ≤ 50.92
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}

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Related Compounds

3-amino-2-(6-fluoro-2-hydroxy-3-methylphenyl)propanoic acid
CID 84679521
(2S)-2-amino-2-(2-chloro-6-fluoro-3-methylphenyl)acetic acid
CID 66512428
(2R)-2-amino-2-(2-fluoro-6-methylphenyl)acetic acid
CID 130997783
2-[(1S)-1-aminoethyl]-3-fluoro-6-methylphenol;hydrochloride
CID 171253947
2-[(1R)-1-amino-2,2-difluoroethyl]-3-fluoro-6-methylphenol;hydrochloride
CID 171253959
2-amino-2-(6-fluoro-2-hydroxy-3-methylphenyl)acetonitrile
CID 130061204
2-[(R)-amino(cyclopropyl)methyl]-3-fluoro-6-methylphenol;hydrochloride
CID 171257306
ethyl (3R)-3-amino-2-fluoro-3-(6-fluoro-2-hydroxy-3-methylphenyl)propanoate
CID 171253983
4-amino-3-(6-fluoro-2-hydroxy-3-methylphenyl)butanoic acid
CID 84691044
(2R)-2-amino-2-(2-fluoro-6-hydroxyphenyl)acetic acid
CID 130640522
2-[(1R)-1-amino-2,2-dimethylpropyl]-3-fluoro-6-methylphenol;hydrochloride
CID 171257323
2-amino-2-[2-(dimethylamino)-3,6-difluorophenyl]acetic acid
CID 117115111

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-2-(6-fluoro-2-hydroxy-3-methylphenyl)acetic acid?
The IUPAC name of (2S)-2-amino-2-(6-fluoro-2-hydroxy-3-methylphenyl)acetic acid (CID 66510686) is (2S)-2-amino-2-(6-fluoro-2-hydroxy-3-methylphenyl)acetic acid.
What is the SMILES notation for (2S)-2-amino-2-(6-fluoro-2-hydroxy-3-methylphenyl)acetic acid?
The canonical SMILES for (2S)-2-amino-2-(6-fluoro-2-hydroxy-3-methylphenyl)acetic acid is Cc1ccc(F)c([C@H](N)C(=O)O)c1O.
What is the InChIKey of (2S)-2-amino-2-(6-fluoro-2-hydroxy-3-methylphenyl)acetic acid?
The InChIKey is JCJSOKOTCHSXAN-ZETCQYMHSA-N. The full InChI is InChI=1S/C9H10FNO3/c1-4-2-3-5(10)6(8(4)12)7(11)9(13)14/h2-3,7,12H,11H2,1H3,(H,13,14)/t7-/m0/s1.
What are the key properties of (2S)-2-amino-2-(6-fluoro-2-hydroxy-3-methylphenyl)acetic acid?
(2S)-2-amino-2-(6-fluoro-2-hydroxy-3-methylphenyl)acetic acid has a molecular weight of 199.18 g/mol, XLogP of 0.92, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-2-(6-fluoro-2-hydroxy-3-methylphenyl)acetic acid is sourced from PubChem (CID 66510686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).