(2R)-2-amino-2-(2-fluoro-6-hydroxyphenyl)acetic acid

C8H8FNO3 — CID 130640522

IUPAC(2R)-2-amino-2-(2-fluoro-6-hydroxyphenyl)acetic acid
SMILESN[C@@H](C(=O)O)c1c(O)cccc1F
InChIInChI=1S/C8H8FNO3/c9-4-2-1-3-5(11)6(4)7(10)8(12)13/h1-3,7,11H,10H2,(H,12,13)/t7-/m1/s1
InChIKeyVNOCFNKFGHDFOK-SSDOTTSWSA-N
MW185.15 g/mol
LogP0.62
Rot. Bonds2

About (2R)-2-amino-2-(2-fluoro-6-hydroxyphenyl)acetic acid

(2R)-2-amino-2-(2-fluoro-6-hydroxyphenyl)acetic acid (PubChem CID 130640522) has the molecular formula C8H8FNO3 and a molecular weight of 185.15 g/mol. Its IUPAC name is (2R)-2-amino-2-(2-fluoro-6-hydroxyphenyl)acetic acid.

Molecular Properties

Compound Name(2R)-2-amino-2-(2-fluoro-6-hydroxyphenyl)acetic acid
PubChem CID130640522
Molecular FormulaC8H8FNO3
Molecular Weight185.15 g/mol
Exact Mass185.05
IUPAC Name(2R)-2-amino-2-(2-fluoro-6-hydroxyphenyl)acetic acid
SMILESN[C@@H](C(=O)O)c1c(O)cccc1F
InChIInChI=1S/C8H8FNO3/c9-4-2-1-3-5(11)6(4)7(10)8(12)13/h1-3,7,11H,10H2,(H,12,13)/t7-/m1/s1
InChIKeyVNOCFNKFGHDFOK-SSDOTTSWSA-N
XLogP0.62
TPSA83.55 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.15
LogP ≤ 50.62
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze (2R)-2-amino-2-(2-fluoro-6-hydroxyphenyl)acetic 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

(2R)-2-amino-2-(2-fluoro-6-methylphenyl)acetic acid
CID 130997783
(2S)-2-amino-2-[2-fluoro-6-(trifluoromethyl)phenyl]acetic acid
CID 66512908
2-[(1S)-1-amino-2-hydroxypropyl]-3-fluorophenol
CID 130739566
(2S)-2-amino-2-(6-fluoro-2-hydroxy-3-methylphenyl)acetic acid
CID 66510686
4-(2,6-difluorophenyl)-4-hydroxy-2,3-dimethylbutanoic acid
CID 79414912
3-fluoro-2-propan-2-ylphenol
CID 169008689
2-amino-2-(2-ethoxy-6-hydroxyphenyl)acetic acid
CID 84678223
sodium;2-amino-2-(2-fluorophenyl)acetic acid;hydride
CID 173282392
2-amino-2-(2,6-difluoro-3-methylsulfanylphenyl)acetic acid
CID 117337661
2-amino-2-[2-(dimethylamino)-3,6-difluorophenyl]acetic acid
CID 117115111
(2S)-2-amino-2-(2,6-dichlorophenyl)acetic acid;hydrochloride
CID 162344171
2-(1,2-diaminoethyl)-3-fluorobenzoic acid
CID 55273283

Frequently Asked Questions

What is the IUPAC name of (2R)-2-amino-2-(2-fluoro-6-hydroxyphenyl)acetic acid?
The IUPAC name of (2R)-2-amino-2-(2-fluoro-6-hydroxyphenyl)acetic acid (CID 130640522) is (2R)-2-amino-2-(2-fluoro-6-hydroxyphenyl)acetic acid.
What is the SMILES notation for (2R)-2-amino-2-(2-fluoro-6-hydroxyphenyl)acetic acid?
The canonical SMILES for (2R)-2-amino-2-(2-fluoro-6-hydroxyphenyl)acetic acid is N[C@@H](C(=O)O)c1c(O)cccc1F.
What is the InChIKey of (2R)-2-amino-2-(2-fluoro-6-hydroxyphenyl)acetic acid?
The InChIKey is VNOCFNKFGHDFOK-SSDOTTSWSA-N. The full InChI is InChI=1S/C8H8FNO3/c9-4-2-1-3-5(11)6(4)7(10)8(12)13/h1-3,7,11H,10H2,(H,12,13)/t7-/m1/s1.
What are the key properties of (2R)-2-amino-2-(2-fluoro-6-hydroxyphenyl)acetic acid?
(2R)-2-amino-2-(2-fluoro-6-hydroxyphenyl)acetic acid has a molecular weight of 185.15 g/mol, XLogP of 0.62, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-amino-2-(2-fluoro-6-hydroxyphenyl)acetic acid is sourced from PubChem (CID 130640522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).