3-[ethyl(naphthalen-2-yl)amino]cyclobutane-1-carboxylic acid

C17H19NO2 — CID 68736051

IUPAC3-[ethyl(naphthalen-2-yl)amino]cyclobutane-1-carboxylic acid
SMILESCCN(c1ccc2ccccc2c1)C1CC(C(=O)O)C1
InChIInChI=1S/C17H19NO2/c1-2-18(16-10-14(11-16)17(19)20)15-8-7-12-5-3-4-6-13(12)9-15/h3-9,14,16H,2,10-11H2,1H3,(H,19,20)
InChIKeyUOOIPUMDOALYIV-UHFFFAOYSA-N
MW269.34 g/mol
LogP3.53
Rot. Bonds4

About 3-[ethyl(naphthalen-2-yl)amino]cyclobutane-1-carboxylic acid

3-[ethyl(naphthalen-2-yl)amino]cyclobutane-1-carboxylic acid (PubChem CID 68736051) has the molecular formula C17H19NO2 and a molecular weight of 269.34 g/mol. Its IUPAC name is 3-[ethyl(naphthalen-2-yl)amino]cyclobutane-1-carboxylic acid.

Molecular Properties

Compound Name3-[ethyl(naphthalen-2-yl)amino]cyclobutane-1-carboxylic acid
PubChem CID68736051
Molecular FormulaC17H19NO2
Molecular Weight269.34 g/mol
Exact Mass269.14
IUPAC Name3-[ethyl(naphthalen-2-yl)amino]cyclobutane-1-carboxylic acid
SMILESCCN(c1ccc2ccccc2c1)C1CC(C(=O)O)C1
InChIInChI=1S/C17H19NO2/c1-2-18(16-10-14(11-16)17(19)20)15-8-7-12-5-3-4-6-13(12)9-15/h3-9,14,16H,2,10-11H2,1H3,(H,19,20)
InChIKeyUOOIPUMDOALYIV-UHFFFAOYSA-N
XLogP3.53
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.34
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-[ethyl(naphthalen-2-yl)amino]cyclobutane-1-carboxylic acid?
The IUPAC name of 3-[ethyl(naphthalen-2-yl)amino]cyclobutane-1-carboxylic acid (CID 68736051) is 3-[ethyl(naphthalen-2-yl)amino]cyclobutane-1-carboxylic acid.
What is the SMILES notation for 3-[ethyl(naphthalen-2-yl)amino]cyclobutane-1-carboxylic acid?
The canonical SMILES for 3-[ethyl(naphthalen-2-yl)amino]cyclobutane-1-carboxylic acid is CCN(c1ccc2ccccc2c1)C1CC(C(=O)O)C1.
What is the InChIKey of 3-[ethyl(naphthalen-2-yl)amino]cyclobutane-1-carboxylic acid?
The InChIKey is UOOIPUMDOALYIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19NO2/c1-2-18(16-10-14(11-16)17(19)20)15-8-7-12-5-3-4-6-13(12)9-15/h3-9,14,16H,2,10-11H2,1H3,(H,19,20).
What are the key properties of 3-[ethyl(naphthalen-2-yl)amino]cyclobutane-1-carboxylic acid?
3-[ethyl(naphthalen-2-yl)amino]cyclobutane-1-carboxylic acid has a molecular weight of 269.34 g/mol, XLogP of 3.53, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[ethyl(naphthalen-2-yl)amino]cyclobutane-1-carboxylic acid is sourced from PubChem (CID 68736051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).