2-amino-2-(4-fluorophenyl)-2-hydroxyacetic acid

C8H8FNO3 — CID 70123452

IUPAC2-amino-2-(4-fluorophenyl)-2-hydroxyacetic acid
SMILESNC(O)(C(=O)O)c1ccc(F)cc1
InChIInChI=1S/C8H8FNO3/c9-6-3-1-5(2-4-6)8(10,13)7(11)12/h1-4,13H,10H2,(H,11,12)
InChIKeyQXBKMKXIRMWELH-UHFFFAOYSA-N
MW185.15 g/mol
LogP0.01
Rot. Bonds2

About 2-amino-2-(4-fluorophenyl)-2-hydroxyacetic acid

2-amino-2-(4-fluorophenyl)-2-hydroxyacetic acid (PubChem CID 70123452) has the molecular formula C8H8FNO3 and a molecular weight of 185.15 g/mol. Its IUPAC name is 2-amino-2-(4-fluorophenyl)-2-hydroxyacetic acid.

Molecular Properties

Compound Name2-amino-2-(4-fluorophenyl)-2-hydroxyacetic acid
PubChem CID70123452
Molecular FormulaC8H8FNO3
Molecular Weight185.15 g/mol
Exact Mass185.05
IUPAC Name2-amino-2-(4-fluorophenyl)-2-hydroxyacetic acid
SMILESNC(O)(C(=O)O)c1ccc(F)cc1
InChIInChI=1S/C8H8FNO3/c9-6-3-1-5(2-4-6)8(10,13)7(11)12/h1-4,13H,10H2,(H,11,12)
InChIKeyQXBKMKXIRMWELH-UHFFFAOYSA-N
XLogP0.01
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 ≤ 50.01
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

2,2,2-tris(4-fluorophenyl)acetic acid
CID 91545050
(2R)-2-amino-2-(4-fluorophenyl)-3-hydroxypropanoic acid
CID 130618697
2-fluoro-2-(4-fluorophenyl)propanedioic acid
CID 139618704
2-amino-3-fluoro-2-(4-fluorophenyl)-3-methylbutanoic acid
CID 105486323
2-(4-fluorophenyl)-2-hydroxybutanedioic acid
CID 150762531
2-amino-2-[(4-fluorobenzoyl)amino]propanoic acid
CID 140553951
2,2-bis(4-fluorophenyl)-2-sulfanylacetamide
CID 87771670
2-(4-fluorophenyl)propan-2-amine
CID 13025665
2-(4-fluorophenyl)propan-2-ol
CID 637733
S-[tris(4-fluorophenyl)methyl] carbamothioate
CID 24886988
2-amino-2-hydroxy-2-phenylacetamide
CID 149436781
methyl 2-amino-3-fluoro-2-(4-fluorophenyl)butanoate
CID 105486322

Frequently Asked Questions

What is the IUPAC name of 2-amino-2-(4-fluorophenyl)-2-hydroxyacetic acid?
The IUPAC name of 2-amino-2-(4-fluorophenyl)-2-hydroxyacetic acid (CID 70123452) is 2-amino-2-(4-fluorophenyl)-2-hydroxyacetic acid.
What is the SMILES notation for 2-amino-2-(4-fluorophenyl)-2-hydroxyacetic acid?
The canonical SMILES for 2-amino-2-(4-fluorophenyl)-2-hydroxyacetic acid is NC(O)(C(=O)O)c1ccc(F)cc1.
What is the InChIKey of 2-amino-2-(4-fluorophenyl)-2-hydroxyacetic acid?
The InChIKey is QXBKMKXIRMWELH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8FNO3/c9-6-3-1-5(2-4-6)8(10,13)7(11)12/h1-4,13H,10H2,(H,11,12).
What are the key properties of 2-amino-2-(4-fluorophenyl)-2-hydroxyacetic acid?
2-amino-2-(4-fluorophenyl)-2-hydroxyacetic acid has a molecular weight of 185.15 g/mol, XLogP of 0.01, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2-(4-fluorophenyl)-2-hydroxyacetic acid is sourced from PubChem (CID 70123452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).