2-[cyclopropyl-[2-(4-fluorophenoxy)acetyl]amino]acetic acid

C13H14FNO4 — CID 54945921

IUPAC2-[cyclopropyl-[2-(4-fluorophenoxy)acetyl]amino]acetic acid
SMILESO=C(O)CN(C(=O)COc1ccc(F)cc1)C1CC1
InChIInChI=1S/C13H14FNO4/c14-9-1-5-11(6-2-9)19-8-12(16)15(7-13(17)18)10-3-4-10/h1-2,5-6,10H,3-4,7-8H2,(H,17,18)
InChIKeyYGTKZFBBFGUAKO-UHFFFAOYSA-N
MW267.26 g/mol
LogP1.28
Rot. Bonds6

About 2-[cyclopropyl-[2-(4-fluorophenoxy)acetyl]amino]acetic acid

2-[cyclopropyl-[2-(4-fluorophenoxy)acetyl]amino]acetic acid (PubChem CID 54945921) has the molecular formula C13H14FNO4 and a molecular weight of 267.26 g/mol. Its IUPAC name is 2-[cyclopropyl-[2-(4-fluorophenoxy)acetyl]amino]acetic acid.

Molecular Properties

Compound Name2-[cyclopropyl-[2-(4-fluorophenoxy)acetyl]amino]acetic acid
PubChem CID54945921
Molecular FormulaC13H14FNO4
Molecular Weight267.26 g/mol
Exact Mass267.09
IUPAC Name2-[cyclopropyl-[2-(4-fluorophenoxy)acetyl]amino]acetic acid
SMILESO=C(O)CN(C(=O)COc1ccc(F)cc1)C1CC1
InChIInChI=1S/C13H14FNO4/c14-9-1-5-11(6-2-9)19-8-12(16)15(7-13(17)18)10-3-4-10/h1-2,5-6,10H,3-4,7-8H2,(H,17,18)
InChIKeyYGTKZFBBFGUAKO-UHFFFAOYSA-N
XLogP1.28
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.26
LogP ≤ 51.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-[cyclopropyl-[2-(4-fluorophenoxy)acetyl]amino]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-[cyclopropyl-[2-(4-ethoxyphenoxy)acetyl]amino]acetic acid
CID 60826404
2-[cyclopropyl-[4-(4-fluorophenoxy)butanoyl]amino]acetic acid
CID 60825538
2-[[2-(4-cyanophenoxy)acetyl]-cyclopropylamino]acetic acid
CID 60825080
2-[cyclopropyl-(2-naphthalen-2-yloxyacetyl)amino]acetic acid
CID 119194754
2-[[2-(2-bromo-4-fluorophenoxy)acetyl]-cyclopropylamino]acetic acid
CID 60825836
N-cyclopropyl-2-(4-fluorophenoxy)-N-[(1-methylpyrrol-2-yl)methyl]acetamide
CID 90495847
2-[cyclopropyl-[2-(2-methoxyphenoxy)acetyl]amino]acetic acid
CID 60825521
2-[[2-(3-chloro-4-fluorophenoxy)acetyl]-(oxan-4-yl)amino]acetic acid
CID 119211275
2-[cyclopropyl-[2-(4-fluorophenyl)sulfanylacetyl]amino]acetic acid
CID 54945815
2-[[2-(4-fluorophenoxy)acetyl]-propan-2-ylamino]acetic acid
CID 55020988
N-cyclopropyl-N-[(4-fluorophenyl)methyl]-2-(4-nitrophenoxy)acetamide
CID 18200592
2-[[2-(2-carbamoylphenoxy)acetyl]-cyclopropylamino]acetic acid
CID 60827374

Frequently Asked Questions

What is the IUPAC name of 2-[cyclopropyl-[2-(4-fluorophenoxy)acetyl]amino]acetic acid?
The IUPAC name of 2-[cyclopropyl-[2-(4-fluorophenoxy)acetyl]amino]acetic acid (CID 54945921) is 2-[cyclopropyl-[2-(4-fluorophenoxy)acetyl]amino]acetic acid.
What is the SMILES notation for 2-[cyclopropyl-[2-(4-fluorophenoxy)acetyl]amino]acetic acid?
The canonical SMILES for 2-[cyclopropyl-[2-(4-fluorophenoxy)acetyl]amino]acetic acid is O=C(O)CN(C(=O)COc1ccc(F)cc1)C1CC1.
What is the InChIKey of 2-[cyclopropyl-[2-(4-fluorophenoxy)acetyl]amino]acetic acid?
The InChIKey is YGTKZFBBFGUAKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14FNO4/c14-9-1-5-11(6-2-9)19-8-12(16)15(7-13(17)18)10-3-4-10/h1-2,5-6,10H,3-4,7-8H2,(H,17,18).
What are the key properties of 2-[cyclopropyl-[2-(4-fluorophenoxy)acetyl]amino]acetic acid?
2-[cyclopropyl-[2-(4-fluorophenoxy)acetyl]amino]acetic acid has a molecular weight of 267.26 g/mol, XLogP of 1.28, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[cyclopropyl-[2-(4-fluorophenoxy)acetyl]amino]acetic acid is sourced from PubChem (CID 54945921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).