1-[2-(2-fluorophenoxy)ethylamino]cyclobutane-1-carboxylic acid

C13H16FNO3 — CID 81167804

IUPAC1-[2-(2-fluorophenoxy)ethylamino]cyclobutane-1-carboxylic acid
SMILESO=C(O)C1(NCCOc2ccccc2F)CCC1
InChIInChI=1S/C13H16FNO3/c14-10-4-1-2-5-11(10)18-9-8-15-13(12(16)17)6-3-7-13/h1-2,4-5,15H,3,6-9H2,(H,16,17)
InChIKeyDPHQUEPCYMQWHQ-UHFFFAOYSA-N
MW253.27 g/mol
LogP1.80
Rot. Bonds6

About 1-[2-(2-fluorophenoxy)ethylamino]cyclobutane-1-carboxylic acid

1-[2-(2-fluorophenoxy)ethylamino]cyclobutane-1-carboxylic acid (PubChem CID 81167804) has the molecular formula C13H16FNO3 and a molecular weight of 253.27 g/mol. Its IUPAC name is 1-[2-(2-fluorophenoxy)ethylamino]cyclobutane-1-carboxylic acid.

Molecular Properties

Compound Name1-[2-(2-fluorophenoxy)ethylamino]cyclobutane-1-carboxylic acid
PubChem CID81167804
Molecular FormulaC13H16FNO3
Molecular Weight253.27 g/mol
Exact Mass253.11
IUPAC Name1-[2-(2-fluorophenoxy)ethylamino]cyclobutane-1-carboxylic acid
SMILESO=C(O)C1(NCCOc2ccccc2F)CCC1
InChIInChI=1S/C13H16FNO3/c14-10-4-1-2-5-11(10)18-9-8-15-13(12(16)17)6-3-7-13/h1-2,4-5,15H,3,6-9H2,(H,16,17)
InChIKeyDPHQUEPCYMQWHQ-UHFFFAOYSA-N
XLogP1.80
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.27
LogP ≤ 51.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-[2-(2-fluorophenoxy)ethyl]cyclopentane-1-carboxylic acid
CID 82087901
1-[2-(4-ethoxyphenoxy)ethylamino]cyclobutane-1-carboxylic acid
CID 81167838
3-(2-fluorophenoxy)-N-[1-(hydroxymethyl)cyclobutyl]propanamide
CID 115878515
1-[3-(2,5-dimethylphenoxy)propylamino]cyclobutane-1-carboxylic acid
CID 81167901
1-[(2-fluorobenzoyl)amino]cyclobutane-1-carboxylic acid
CID 81164018
1-[2-(2-fluorophenoxy)ethyl]-3-phenylurea
CID 43010864
N-[2-(2-fluorophenoxy)ethyl]-2-methylpropanamide
CID 110478459
1-[(2-fluorophenyl)methylcarbamoylamino]cyclobutane-1-carboxylic acid
CID 81162721
1-(2-pyridin-2-ylethylamino)cyclobutane-1-carboxylic acid
CID 81166918
1-[3-(2-methylphenoxy)propanoylamino]cyclobutane-1-carboxylic acid
CID 81158517
2-(2-fluorophenoxy)ethylhydrazine
CID 82125131
3-[[2-(2-fluorophenoxy)acetyl]amino]oxolane-3-carboxylic acid
CID 64889416

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2-fluorophenoxy)ethylamino]cyclobutane-1-carboxylic acid?
The IUPAC name of 1-[2-(2-fluorophenoxy)ethylamino]cyclobutane-1-carboxylic acid (CID 81167804) is 1-[2-(2-fluorophenoxy)ethylamino]cyclobutane-1-carboxylic acid.
What is the SMILES notation for 1-[2-(2-fluorophenoxy)ethylamino]cyclobutane-1-carboxylic acid?
The canonical SMILES for 1-[2-(2-fluorophenoxy)ethylamino]cyclobutane-1-carboxylic acid is O=C(O)C1(NCCOc2ccccc2F)CCC1.
What is the InChIKey of 1-[2-(2-fluorophenoxy)ethylamino]cyclobutane-1-carboxylic acid?
The InChIKey is DPHQUEPCYMQWHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16FNO3/c14-10-4-1-2-5-11(10)18-9-8-15-13(12(16)17)6-3-7-13/h1-2,4-5,15H,3,6-9H2,(H,16,17).
What are the key properties of 1-[2-(2-fluorophenoxy)ethylamino]cyclobutane-1-carboxylic acid?
1-[2-(2-fluorophenoxy)ethylamino]cyclobutane-1-carboxylic acid has a molecular weight of 253.27 g/mol, XLogP of 1.80, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2-fluorophenoxy)ethylamino]cyclobutane-1-carboxylic acid is sourced from PubChem (CID 81167804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).