(2-amino-5-fluorophenyl) 2-hydroxyacetate

C8H8FNO3 — CID 117095582

IUPAC(2-amino-5-fluorophenyl) 2-hydroxyacetate
SMILESNc1ccc(F)cc1OC(=O)CO
InChIInChI=1S/C8H8FNO3/c9-5-1-2-6(10)7(3-5)13-8(12)4-11/h1-3,11H,4,10H2
InChIKeyUOCJDPSKVCYPEU-UHFFFAOYSA-N
MW185.15 g/mol
LogP0.31
Rot. Bonds2

About (2-amino-5-fluorophenyl) 2-hydroxyacetate

(2-amino-5-fluorophenyl) 2-hydroxyacetate (PubChem CID 117095582) has the molecular formula C8H8FNO3 and a molecular weight of 185.15 g/mol. Its IUPAC name is (2-amino-5-fluorophenyl) 2-hydroxyacetate.

Molecular Properties

Compound Name(2-amino-5-fluorophenyl) 2-hydroxyacetate
PubChem CID117095582
Molecular FormulaC8H8FNO3
Molecular Weight185.15 g/mol
Exact Mass185.05
IUPAC Name(2-amino-5-fluorophenyl) 2-hydroxyacetate
SMILESNc1ccc(F)cc1OC(=O)CO
InChIInChI=1S/C8H8FNO3/c9-5-1-2-6(10)7(3-5)13-8(12)4-11/h1-3,11H,4,10H2
InChIKeyUOCJDPSKVCYPEU-UHFFFAOYSA-N
XLogP0.31
TPSA72.55 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.15
LogP ≤ 50.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'phenol_ester', 'substructure': 'N/A'}

Analyze (2-amino-5-fluorophenyl) 2-hydroxyacetate 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

2-(2-amino-5-fluorophenoxy)propane-1,3-diol
CID 117095564
2-(2-amino-5-fluorophenoxy)butanoic acid
CID 64669488
4-fluoro-2-[(Z)-4-methylpent-2-en-3-yl]oxyaniline
CID 139377476
2-(1,3-difluoropropan-2-yloxy)-4-fluoroaniline
CID 58413286
(2-amino-5-fluorophenoxy)boronic acid
CID 142800926
2-(2-amino-5-fluorophenoxy)-N-(2-methylpropyl)propanamide
CID 43116075
2-[2-[(2-amino-5-fluorophenoxy)methyl]phenyl]acetic acid
CID 115460486
(2-hydroxyphenyl) 2-hydroxyacetate
CID 54356800
methyl 2-(2-amino-4-fluorophenyl)acetate
CID 54072159
4-fluoro-2-(2-methylbutan-2-yloxy)aniline
CID 62377670
(2R)-2-(2-amino-5-fluorophenoxy)-6,6,6-trifluoro-5-(trifluoromethyl)hexan-3-one
CID 162053244
(2R)-2-(2-amino-5-fluorophenoxy)-6,6,6-trifluorohexan-3-one
CID 153210712

Frequently Asked Questions

What is the IUPAC name of (2-amino-5-fluorophenyl) 2-hydroxyacetate?
The IUPAC name of (2-amino-5-fluorophenyl) 2-hydroxyacetate (CID 117095582) is (2-amino-5-fluorophenyl) 2-hydroxyacetate.
What is the SMILES notation for (2-amino-5-fluorophenyl) 2-hydroxyacetate?
The canonical SMILES for (2-amino-5-fluorophenyl) 2-hydroxyacetate is Nc1ccc(F)cc1OC(=O)CO.
What is the InChIKey of (2-amino-5-fluorophenyl) 2-hydroxyacetate?
The InChIKey is UOCJDPSKVCYPEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8FNO3/c9-5-1-2-6(10)7(3-5)13-8(12)4-11/h1-3,11H,4,10H2.
What are the key properties of (2-amino-5-fluorophenyl) 2-hydroxyacetate?
(2-amino-5-fluorophenyl) 2-hydroxyacetate has a molecular weight of 185.15 g/mol, XLogP of 0.31, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-amino-5-fluorophenyl) 2-hydroxyacetate is sourced from PubChem (CID 117095582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).