2-amino-2-[3-(1-fluoroethyl)-2-methoxyphenyl]acetic acid

C11H14FNO3 — CID 84691082

IUPAC2-amino-2-[3-(1-fluoroethyl)-2-methoxyphenyl]acetic acid
SMILESCOc1c(C(C)F)cccc1C(N)C(=O)O
InChIInChI=1S/C11H14FNO3/c1-6(12)7-4-3-5-8(10(7)16-2)9(13)11(14)15/h3-6,9H,13H2,1-2H3,(H,14,15)
InChIKeyDJPMWRXPFAEELF-UHFFFAOYSA-N
MW227.24 g/mol
LogP1.81
Rot. Bonds4

About 2-amino-2-[3-(1-fluoroethyl)-2-methoxyphenyl]acetic acid

2-amino-2-[3-(1-fluoroethyl)-2-methoxyphenyl]acetic acid (PubChem CID 84691082) has the molecular formula C11H14FNO3 and a molecular weight of 227.24 g/mol. Its IUPAC name is 2-amino-2-[3-(1-fluoroethyl)-2-methoxyphenyl]acetic acid.

Molecular Properties

Compound Name2-amino-2-[3-(1-fluoroethyl)-2-methoxyphenyl]acetic acid
PubChem CID84691082
Molecular FormulaC11H14FNO3
Molecular Weight227.24 g/mol
Exact Mass227.10
IUPAC Name2-amino-2-[3-(1-fluoroethyl)-2-methoxyphenyl]acetic acid
SMILESCOc1c(C(C)F)cccc1C(N)C(=O)O
InChIInChI=1S/C11H14FNO3/c1-6(12)7-4-3-5-8(10(7)16-2)9(13)11(14)15/h3-6,9H,13H2,1-2H3,(H,14,15)
InChIKeyDJPMWRXPFAEELF-UHFFFAOYSA-N
XLogP1.81
TPSA72.55 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.24
LogP ≤ 51.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-amino-2-[3-(1-fluoroethyl)-2-methoxyphenyl]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-amino-2-(3-fluoro-2-methoxyphenyl)acetic acid;hydrobromide
CID 117449300
2-amino-2-(2-methoxy-3-methylphenyl)acetic acid
CID 82400552
2-amino-2-[3-(1,1-difluoroethyl)-2-methoxyphenyl]acetic acid
CID 84705009
2-amino-2-[2-methoxy-3-(oxan-4-yloxy)phenyl]acetic acid
CID 117451366
1-[3-(1-fluoroethyl)-2-methoxyphenyl]cyclopropane-1-carboxylic acid
CID 117348864
1-[3-(1-fluoroethyl)-2-methoxyphenyl]cyclobutane-1-carboxylic acid
CID 117383747
(2R)-2-amino-2-(2-bromo-3-methoxyphenyl)acetic acid
CID 131039451
(2S)-2-amino-2-(3-methoxy-2-propoxyphenyl)acetic acid
CID 7139541
2-[1-[3-(1-fluoroethyl)-2-methoxyphenyl]cyclopropyl]acetic acid
CID 117383717
2-amino-2-(4-chloro-3-hydroxy-2-methoxyphenyl)acetic acid
CID 117335291
2-amino-2-(4-formyl-2,3-dimethoxyphenyl)acetic acid
CID 117350252
3-amino-2-[3-(difluoromethyl)-2-methoxyphenyl]propanoic acid
CID 117364253

Frequently Asked Questions

What is the IUPAC name of 2-amino-2-[3-(1-fluoroethyl)-2-methoxyphenyl]acetic acid?
The IUPAC name of 2-amino-2-[3-(1-fluoroethyl)-2-methoxyphenyl]acetic acid (CID 84691082) is 2-amino-2-[3-(1-fluoroethyl)-2-methoxyphenyl]acetic acid.
What is the SMILES notation for 2-amino-2-[3-(1-fluoroethyl)-2-methoxyphenyl]acetic acid?
The canonical SMILES for 2-amino-2-[3-(1-fluoroethyl)-2-methoxyphenyl]acetic acid is COc1c(C(C)F)cccc1C(N)C(=O)O.
What is the InChIKey of 2-amino-2-[3-(1-fluoroethyl)-2-methoxyphenyl]acetic acid?
The InChIKey is DJPMWRXPFAEELF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14FNO3/c1-6(12)7-4-3-5-8(10(7)16-2)9(13)11(14)15/h3-6,9H,13H2,1-2H3,(H,14,15).
What are the key properties of 2-amino-2-[3-(1-fluoroethyl)-2-methoxyphenyl]acetic acid?
2-amino-2-[3-(1-fluoroethyl)-2-methoxyphenyl]acetic acid has a molecular weight of 227.24 g/mol, XLogP of 1.81, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2-[3-(1-fluoroethyl)-2-methoxyphenyl]acetic acid is sourced from PubChem (CID 84691082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).