3-pyrrolidin-1-ylnaphthalene-2-carboxylic acid

C15H15NO2 — CID 79679992

IUPAC3-pyrrolidin-1-ylnaphthalene-2-carboxylic acid
SMILESO=C(O)c1cc2ccccc2cc1N1CCCC1
InChIInChI=1S/C15H15NO2/c17-15(18)13-9-11-5-1-2-6-12(11)10-14(13)16-7-3-4-8-16/h1-2,5-6,9-10H,3-4,7-8H2,(H,17,18)
InChIKeyNVASAQCZEGJLBL-UHFFFAOYSA-N
MW241.29 g/mol
LogP3.14
Rot. Bonds2

About 3-pyrrolidin-1-ylnaphthalene-2-carboxylic acid

3-pyrrolidin-1-ylnaphthalene-2-carboxylic acid (PubChem CID 79679992) has the molecular formula C15H15NO2 and a molecular weight of 241.29 g/mol. Its IUPAC name is 3-pyrrolidin-1-ylnaphthalene-2-carboxylic acid.

Molecular Properties

Compound Name3-pyrrolidin-1-ylnaphthalene-2-carboxylic acid
PubChem CID79679992
Molecular FormulaC15H15NO2
Molecular Weight241.29 g/mol
Exact Mass241.11
IUPAC Name3-pyrrolidin-1-ylnaphthalene-2-carboxylic acid
SMILESO=C(O)c1cc2ccccc2cc1N1CCCC1
InChIInChI=1S/C15H15NO2/c17-15(18)13-9-11-5-1-2-6-12(11)10-14(13)16-7-3-4-8-16/h1-2,5-6,9-10H,3-4,7-8H2,(H,17,18)
InChIKeyNVASAQCZEGJLBL-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

3-(3-tert-butylazetidin-1-yl)naphthalene-2-carboxylic acid
CID 79690192
3-(2-methylazetidin-1-yl)naphthalene-2-carboxylic acid
CID 79686408
4-pyrrolidin-1-ylnaphthalene-1-carboxylic acid
CID 11564970
2-(azepan-1-yl)-5-hydroxybenzoic acid
CID 12784733
2-(azetidin-1-yl)-5-chlorobenzoic acid
CID 127018592
2-(azepan-1-yl)-4-fluorobenzoic acid
CID 79686942
4-methyl-2-piperidin-1-ylbenzoic acid
CID 62710167
5-methoxy-2-piperidin-1-ylbenzoic acid
CID 70528238
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
5-(methylamino)-2-pyrrolidin-1-ylbenzoic acid
CID 153184017

Frequently Asked Questions

What is the IUPAC name of 3-pyrrolidin-1-ylnaphthalene-2-carboxylic acid?
The IUPAC name of 3-pyrrolidin-1-ylnaphthalene-2-carboxylic acid (CID 79679992) is 3-pyrrolidin-1-ylnaphthalene-2-carboxylic acid.
What is the SMILES notation for 3-pyrrolidin-1-ylnaphthalene-2-carboxylic acid?
The canonical SMILES for 3-pyrrolidin-1-ylnaphthalene-2-carboxylic acid is O=C(O)c1cc2ccccc2cc1N1CCCC1.
What is the InChIKey of 3-pyrrolidin-1-ylnaphthalene-2-carboxylic acid?
The InChIKey is NVASAQCZEGJLBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15NO2/c17-15(18)13-9-11-5-1-2-6-12(11)10-14(13)16-7-3-4-8-16/h1-2,5-6,9-10H,3-4,7-8H2,(H,17,18).
What are the key properties of 3-pyrrolidin-1-ylnaphthalene-2-carboxylic acid?
3-pyrrolidin-1-ylnaphthalene-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-pyrrolidin-1-ylnaphthalene-2-carboxylic acid is sourced from PubChem (CID 79679992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).