2-[2-(4-chlorophenyl)ethylamino]cyclobutane-1-carboxylic acid

C13H16ClNO2 — CID 103247072

IUPAC2-[2-(4-chlorophenyl)ethylamino]cyclobutane-1-carboxylic acid
SMILESO=C(O)C1CCC1NCCc1ccc(Cl)cc1
InChIInChI=1S/C13H16ClNO2/c14-10-3-1-9(2-4-10)7-8-15-12-6-5-11(12)13(16)17/h1-4,11-12,15H,5-8H2,(H,16,17)
InChIKeyHBQYIYMZVLWQIW-UHFFFAOYSA-N
MW253.73 g/mol
LogP2.34
Rot. Bonds5

About 2-[2-(4-chlorophenyl)ethylamino]cyclobutane-1-carboxylic acid

2-[2-(4-chlorophenyl)ethylamino]cyclobutane-1-carboxylic acid (PubChem CID 103247072) has the molecular formula C13H16ClNO2 and a molecular weight of 253.73 g/mol. Its IUPAC name is 2-[2-(4-chlorophenyl)ethylamino]cyclobutane-1-carboxylic acid.

Molecular Properties

Compound Name2-[2-(4-chlorophenyl)ethylamino]cyclobutane-1-carboxylic acid
PubChem CID103247072
Molecular FormulaC13H16ClNO2
Molecular Weight253.73 g/mol
Exact Mass253.09
IUPAC Name2-[2-(4-chlorophenyl)ethylamino]cyclobutane-1-carboxylic acid
SMILESO=C(O)C1CCC1NCCc1ccc(Cl)cc1
InChIInChI=1S/C13H16ClNO2/c14-10-3-1-9(2-4-10)7-8-15-12-6-5-11(12)13(16)17/h1-4,11-12,15H,5-8H2,(H,16,17)
InChIKeyHBQYIYMZVLWQIW-UHFFFAOYSA-N
XLogP2.34
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.73
LogP ≤ 52.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(4-chlorophenyl)ethylamino]cyclobutane-1-carboxylic acid?
The IUPAC name of 2-[2-(4-chlorophenyl)ethylamino]cyclobutane-1-carboxylic acid (CID 103247072) is 2-[2-(4-chlorophenyl)ethylamino]cyclobutane-1-carboxylic acid.
What is the SMILES notation for 2-[2-(4-chlorophenyl)ethylamino]cyclobutane-1-carboxylic acid?
The canonical SMILES for 2-[2-(4-chlorophenyl)ethylamino]cyclobutane-1-carboxylic acid is O=C(O)C1CCC1NCCc1ccc(Cl)cc1.
What is the InChIKey of 2-[2-(4-chlorophenyl)ethylamino]cyclobutane-1-carboxylic acid?
The InChIKey is HBQYIYMZVLWQIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16ClNO2/c14-10-3-1-9(2-4-10)7-8-15-12-6-5-11(12)13(16)17/h1-4,11-12,15H,5-8H2,(H,16,17).
What are the key properties of 2-[2-(4-chlorophenyl)ethylamino]cyclobutane-1-carboxylic acid?
2-[2-(4-chlorophenyl)ethylamino]cyclobutane-1-carboxylic acid has a molecular weight of 253.73 g/mol, XLogP of 2.34, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(4-chlorophenyl)ethylamino]cyclobutane-1-carboxylic acid is sourced from PubChem (CID 103247072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).