2-(ethylamino)-2-(5-fluoro-2-hydroxyphenyl)acetic acid

C10H12FNO3 — CID 107698104

IUPAC2-(ethylamino)-2-(5-fluoro-2-hydroxyphenyl)acetic acid
SMILESCCNC(C(=O)O)c1cc(F)ccc1O
InChIInChI=1S/C10H12FNO3/c1-2-12-9(10(14)15)7-5-6(11)3-4-8(7)13/h3-5,9,12-13H,2H2,1H3,(H,14,15)
InChIKeyAGKJUBWFFGSHOW-UHFFFAOYSA-N
MW213.21 g/mol
LogP1.27
Rot. Bonds4

About 2-(ethylamino)-2-(5-fluoro-2-hydroxyphenyl)acetic acid

2-(ethylamino)-2-(5-fluoro-2-hydroxyphenyl)acetic acid (PubChem CID 107698104) has the molecular formula C10H12FNO3 and a molecular weight of 213.21 g/mol. Its IUPAC name is 2-(ethylamino)-2-(5-fluoro-2-hydroxyphenyl)acetic acid.

Molecular Properties

Compound Name2-(ethylamino)-2-(5-fluoro-2-hydroxyphenyl)acetic acid
PubChem CID107698104
Molecular FormulaC10H12FNO3
Molecular Weight213.21 g/mol
Exact Mass213.08
IUPAC Name2-(ethylamino)-2-(5-fluoro-2-hydroxyphenyl)acetic acid
SMILESCCNC(C(=O)O)c1cc(F)ccc1O
InChIInChI=1S/C10H12FNO3/c1-2-12-9(10(14)15)7-5-6(11)3-4-8(7)13/h3-5,9,12-13H,2H2,1H3,(H,14,15)
InChIKeyAGKJUBWFFGSHOW-UHFFFAOYSA-N
XLogP1.27
TPSA69.56 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.21
LogP ≤ 51.27
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-(ethylamino)-2-(5-fluoro-2-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

2-(5-fluoro-2-hydroxyphenyl)-2-(propan-2-ylamino)acetic acid
CID 107698106
2-(5-fluoro-2-hydroxyphenyl)-2-(propylamino)acetamide
CID 107698118
2-(5-fluoro-2-hydroxyphenyl)-2-(2-methylanilino)acetic acid
CID 107698154
ethyl 2-(cyclopropylmethylamino)-2-(5-fluoro-2-hydroxyphenyl)acetate
CID 107698194
2-(butylamino)-2-(5-chloro-2-hydroxyphenyl)acetic acid
CID 84748540
2-[2-[[carboxy-(2-hydroxyphenyl)methyl]amino]ethylamino]-2-(2-hydroxyphenyl)acetic acid
CID 14432
2-(2,5-difluorophenyl)-2-[(2-hydroxy-5-propan-2-ylphenyl)methylamino]acetic acid
CID 166267667
3-amino-2-(5-fluoro-2-hydroxyphenyl)propanoic acid
CID 82607416
4-fluoro-2-(1-hydroxyethyl)phenol
CID 53406163
4-fluoro-2-(1-hydroxypropyl)phenol
CID 82268240
2-[2-[[carboxy-(2-hydroxy-5-sulfophenyl)methyl]amino]ethylamino]-2-(2-hydroxy-5-methylphenyl)acetic acid
CID 59821494
N-[(1R)-2,2,2-trifluoro-1-(5-fluoro-2-hydroxyphenyl)ethyl]acetamide
CID 171471199

Frequently Asked Questions

What is the IUPAC name of 2-(ethylamino)-2-(5-fluoro-2-hydroxyphenyl)acetic acid?
The IUPAC name of 2-(ethylamino)-2-(5-fluoro-2-hydroxyphenyl)acetic acid (CID 107698104) is 2-(ethylamino)-2-(5-fluoro-2-hydroxyphenyl)acetic acid.
What is the SMILES notation for 2-(ethylamino)-2-(5-fluoro-2-hydroxyphenyl)acetic acid?
The canonical SMILES for 2-(ethylamino)-2-(5-fluoro-2-hydroxyphenyl)acetic acid is CCNC(C(=O)O)c1cc(F)ccc1O.
What is the InChIKey of 2-(ethylamino)-2-(5-fluoro-2-hydroxyphenyl)acetic acid?
The InChIKey is AGKJUBWFFGSHOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12FNO3/c1-2-12-9(10(14)15)7-5-6(11)3-4-8(7)13/h3-5,9,12-13H,2H2,1H3,(H,14,15).
What are the key properties of 2-(ethylamino)-2-(5-fluoro-2-hydroxyphenyl)acetic acid?
2-(ethylamino)-2-(5-fluoro-2-hydroxyphenyl)acetic acid has a molecular weight of 213.21 g/mol, XLogP of 1.27, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(ethylamino)-2-(5-fluoro-2-hydroxyphenyl)acetic acid is sourced from PubChem (CID 107698104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).