3-(2-methylazetidin-1-yl)naphthalene-2-carboxylic acid

C15H15NO2 — CID 79686408

IUPAC3-(2-methylazetidin-1-yl)naphthalene-2-carboxylic acid
SMILESCC1CCN1c1cc2ccccc2cc1C(=O)O
InChIInChI=1S/C15H15NO2/c1-10-6-7-16(10)14-9-12-5-3-2-4-11(12)8-13(14)15(17)18/h2-5,8-10H,6-7H2,1H3,(H,17,18)
InChIKeyURCOJRAQOHARTC-UHFFFAOYSA-N
MW241.29 g/mol
LogP3.14
Rot. Bonds2

About 3-(2-methylazetidin-1-yl)naphthalene-2-carboxylic acid

3-(2-methylazetidin-1-yl)naphthalene-2-carboxylic acid (PubChem CID 79686408) has the molecular formula C15H15NO2 and a molecular weight of 241.29 g/mol. Its IUPAC name is 3-(2-methylazetidin-1-yl)naphthalene-2-carboxylic acid.

Molecular Properties

Compound Name3-(2-methylazetidin-1-yl)naphthalene-2-carboxylic acid
PubChem CID79686408
Molecular FormulaC15H15NO2
Molecular Weight241.29 g/mol
Exact Mass241.11
IUPAC Name3-(2-methylazetidin-1-yl)naphthalene-2-carboxylic acid
SMILESCC1CCN1c1cc2ccccc2cc1C(=O)O
InChIInChI=1S/C15H15NO2/c1-10-6-7-16(10)14-9-12-5-3-2-4-11(12)8-13(14)15(17)18/h2-5,8-10H,6-7H2,1H3,(H,17,18)
InChIKeyURCOJRAQOHARTC-UHFFFAOYSA-N
XLogP3.14
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.29
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

5-methyl-2-(2-methylazetidin-1-yl)benzoic acid
CID 79686311
3-pyrrolidin-1-ylnaphthalene-2-carboxylic acid
CID 79679992
3-(3-tert-butylazetidin-1-yl)naphthalene-2-carboxylic acid
CID 79690192
2-methyl-6-(2-methylazetidin-1-yl)benzoic acid
CID 79695201
2-[3-(2-methylazetidin-1-yl)phenoxy]acetic acid
CID 79695787
2-amino-3-(2-methylpyrrolidin-1-yl)benzoic acid
CID 115544084
2-(2-methylazetidin-1-yl)quinazoline-5-carboxylic acid
CID 165494382
3-(5-oxo-1H-1,2,4-triazol-4-yl)naphthalene-2-carboxylic acid
CID 107410226
calcium;bis(3-carboxynaphthalen-2-olate);trihydrate
CID 54746328
zinc;bis(3-carboxynaphthalen-2-olate);dihydrate
CID 54706140
2-(5-carbamoyl-2-methylpiperidin-1-yl)-4-chlorobenzoic acid
CID 114845026
[3-fluoro-4-[(2S)-2-methylpiperidin-1-yl]phenyl]-phenylmethanone
CID 702752

Frequently Asked Questions

What is the IUPAC name of 3-(2-methylazetidin-1-yl)naphthalene-2-carboxylic acid?
The IUPAC name of 3-(2-methylazetidin-1-yl)naphthalene-2-carboxylic acid (CID 79686408) is 3-(2-methylazetidin-1-yl)naphthalene-2-carboxylic acid.
What is the SMILES notation for 3-(2-methylazetidin-1-yl)naphthalene-2-carboxylic acid?
The canonical SMILES for 3-(2-methylazetidin-1-yl)naphthalene-2-carboxylic acid is CC1CCN1c1cc2ccccc2cc1C(=O)O.
What is the InChIKey of 3-(2-methylazetidin-1-yl)naphthalene-2-carboxylic acid?
The InChIKey is URCOJRAQOHARTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15NO2/c1-10-6-7-16(10)14-9-12-5-3-2-4-11(12)8-13(14)15(17)18/h2-5,8-10H,6-7H2,1H3,(H,17,18).
What are the key properties of 3-(2-methylazetidin-1-yl)naphthalene-2-carboxylic acid?
3-(2-methylazetidin-1-yl)naphthalene-2-carboxylic acid has a molecular weight of 241.29 g/mol, XLogP of 3.14, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methylazetidin-1-yl)naphthalene-2-carboxylic acid is sourced from PubChem (CID 79686408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).