2-[2-[1-(2-fluorophenyl)ethylcarbamoylamino]ethoxy]acetic acid

C13H17FN2O4 — CID 79463734

IUPAC2-[2-[1-(2-fluorophenyl)ethylcarbamoylamino]ethoxy]acetic acid
SMILESCC(NC(=O)NCCOCC(=O)O)c1ccccc1F
InChIInChI=1S/C13H17FN2O4/c1-9(10-4-2-3-5-11(10)14)16-13(19)15-6-7-20-8-12(17)18/h2-5,9H,6-8H2,1H3,(H,17,18)(H2,15,16,19)
InChIKeyWHRHGUNAQIPYQL-UHFFFAOYSA-N
MW284.29 g/mol
LogP1.29
Rot. Bonds7

About 2-[2-[1-(2-fluorophenyl)ethylcarbamoylamino]ethoxy]acetic acid

2-[2-[1-(2-fluorophenyl)ethylcarbamoylamino]ethoxy]acetic acid (PubChem CID 79463734) has the molecular formula C13H17FN2O4 and a molecular weight of 284.29 g/mol. Its IUPAC name is 2-[2-[1-(2-fluorophenyl)ethylcarbamoylamino]ethoxy]acetic acid.

Molecular Properties

Compound Name2-[2-[1-(2-fluorophenyl)ethylcarbamoylamino]ethoxy]acetic acid
PubChem CID79463734
Molecular FormulaC13H17FN2O4
Molecular Weight284.29 g/mol
Exact Mass284.12
IUPAC Name2-[2-[1-(2-fluorophenyl)ethylcarbamoylamino]ethoxy]acetic acid
SMILESCC(NC(=O)NCCOCC(=O)O)c1ccccc1F
InChIInChI=1S/C13H17FN2O4/c1-9(10-4-2-3-5-11(10)14)16-13(19)15-6-7-20-8-12(17)18/h2-5,9H,6-8H2,1H3,(H,17,18)(H2,15,16,19)
InChIKeyWHRHGUNAQIPYQL-UHFFFAOYSA-N
XLogP1.29
TPSA87.66 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.29
LogP ≤ 51.29
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-[2-[1-(2-fluorophenyl)ethylcarbamoylamino]ethoxy]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

5-[1-(2-fluorophenyl)ethylcarbamoylamino]-2-methylpentanoic acid
CID 104686419
2-[2-[1-(furan-2-yl)ethylcarbamoylamino]ethoxy]acetic acid
CID 79464025
2-[2-(1-phenylpropan-2-ylcarbamoylamino)ethoxy]acetic acid
CID 79464414
2-[2-(4-phenylbutan-2-ylcarbamoylamino)ethoxy]acetic acid
CID 79463522
1-[1-(2-fluorophenyl)ethyl]-3-(2,2,2-trifluoroethyl)urea
CID 113219964
ethyl 2-[1-(2-fluorophenyl)ethylcarbamoylamino]acetate
CID 60638891
2-[2-[(2,3-difluorophenyl)carbamoylamino]ethoxy]acetic acid
CID 79463827
4-[[(1S)-1-(2-fluorophenyl)ethyl]amino]-4-oxobutanoic acid
CID 81380068
2-chloro-N-[(1S)-1-(2-fluorophenyl)ethyl]acetamide
CID 166408408
3-[1-(2-fluorophenyl)ethylamino]-N-(2-methoxyethyl)propanamide
CID 112700216
3-[1-(2-fluorophenyl)ethylamino]propanoic acid
CID 43087232
2-[2-[[(2-fluorophenyl)methyl-methylcarbamoyl]amino]ethoxy]acetic acid
CID 79463147

Frequently Asked Questions

What is the IUPAC name of 2-[2-[1-(2-fluorophenyl)ethylcarbamoylamino]ethoxy]acetic acid?
The IUPAC name of 2-[2-[1-(2-fluorophenyl)ethylcarbamoylamino]ethoxy]acetic acid (CID 79463734) is 2-[2-[1-(2-fluorophenyl)ethylcarbamoylamino]ethoxy]acetic acid.
What is the SMILES notation for 2-[2-[1-(2-fluorophenyl)ethylcarbamoylamino]ethoxy]acetic acid?
The canonical SMILES for 2-[2-[1-(2-fluorophenyl)ethylcarbamoylamino]ethoxy]acetic acid is CC(NC(=O)NCCOCC(=O)O)c1ccccc1F.
What is the InChIKey of 2-[2-[1-(2-fluorophenyl)ethylcarbamoylamino]ethoxy]acetic acid?
The InChIKey is WHRHGUNAQIPYQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17FN2O4/c1-9(10-4-2-3-5-11(10)14)16-13(19)15-6-7-20-8-12(17)18/h2-5,9H,6-8H2,1H3,(H,17,18)(H2,15,16,19).
What are the key properties of 2-[2-[1-(2-fluorophenyl)ethylcarbamoylamino]ethoxy]acetic acid?
2-[2-[1-(2-fluorophenyl)ethylcarbamoylamino]ethoxy]acetic acid has a molecular weight of 284.29 g/mol, XLogP of 1.29, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[1-(2-fluorophenyl)ethylcarbamoylamino]ethoxy]acetic acid is sourced from PubChem (CID 79463734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).