3-(2-azabicyclo[2.2.1]heptan-2-ylmethyl)-4-methoxybenzoic acid

C15H19NO3 — CID 62018786

IUPAC3-(2-azabicyclo[2.2.1]heptan-2-ylmethyl)-4-methoxybenzoic acid
SMILESCOc1ccc(C(=O)O)cc1CN1CC2CCC1C2
InChIInChI=1S/C15H19NO3/c1-19-14-5-3-11(15(17)18)7-12(14)9-16-8-10-2-4-13(16)6-10/h3,5,7,10,13H,2,4,6,8-9H2,1H3,(H,17,18)
InChIKeySUVJLZKCUSKYBZ-UHFFFAOYSA-N
MW261.32 g/mol
LogP2.38
Rot. Bonds4

About 3-(2-azabicyclo[2.2.1]heptan-2-ylmethyl)-4-methoxybenzoic acid

3-(2-azabicyclo[2.2.1]heptan-2-ylmethyl)-4-methoxybenzoic acid (PubChem CID 62018786) has the molecular formula C15H19NO3 and a molecular weight of 261.32 g/mol. Its IUPAC name is 3-(2-azabicyclo[2.2.1]heptan-2-ylmethyl)-4-methoxybenzoic acid.

Molecular Properties

Compound Name3-(2-azabicyclo[2.2.1]heptan-2-ylmethyl)-4-methoxybenzoic acid
PubChem CID62018786
Molecular FormulaC15H19NO3
Molecular Weight261.32 g/mol
Exact Mass261.14
IUPAC Name3-(2-azabicyclo[2.2.1]heptan-2-ylmethyl)-4-methoxybenzoic acid
SMILESCOc1ccc(C(=O)O)cc1CN1CC2CCC1C2
InChIInChI=1S/C15H19NO3/c1-19-14-5-3-11(15(17)18)7-12(14)9-16-8-10-2-4-13(16)6-10/h3,5,7,10,13H,2,4,6,8-9H2,1H3,(H,17,18)
InChIKeySUVJLZKCUSKYBZ-UHFFFAOYSA-N
XLogP2.38
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.32
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3-(2-azabicyclo[2.2.1]heptan-2-ylmethyl)-4-methoxybenzoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-methoxy-3-[(2-methylpyrrolidin-1-yl)methyl]benzoic acid
CID 62018782
4-methoxy-3-[(4-methylpiperidin-1-yl)methyl]benzoic acid
CID 62019516
3-[(4-ethyl-3-methylpiperazin-1-yl)methyl]-4-methoxybenzoic acid
CID 63635444
3-[[4-(dimethylamino)piperidin-1-yl]methyl]-4-methoxybenzoic acid
CID 62019164
(1R,4S)-2-[2-[4-[(2,5-dimethoxyphenyl)methyl]piperazin-1-yl]ethyl]-2-azabicyclo[2.2.1]heptane
CID 171908222
4-methoxy-3-[[4-(methoxymethyl)piperidin-1-yl]methyl]benzoic acid
CID 63971622
4-methoxy-3-[[3-(methoxymethyl)piperidin-1-yl]methyl]benzoic acid
CID 106588718
3-[(3-carbamoylpiperidin-1-yl)methyl]-4-methoxybenzoic acid
CID 62019341
2-azabicyclo[2.2.1]heptan-2-yl-(3-hydroxy-4-methoxyphenyl)methanone
CID 79601259
3-[(dimethylamino)methyl]-4-methoxybenzoic acid;hydrochloride
CID 46736545
2-(2-azabicyclo[2.2.1]heptan-2-ylmethyl)-4-methoxyaniline
CID 113305294
3-[(2,5-dioxoimidazolidin-1-yl)methyl]-4-methoxybenzoic acid
CID 62023502

Frequently Asked Questions

What is the IUPAC name of 3-(2-azabicyclo[2.2.1]heptan-2-ylmethyl)-4-methoxybenzoic acid?
The IUPAC name of 3-(2-azabicyclo[2.2.1]heptan-2-ylmethyl)-4-methoxybenzoic acid (CID 62018786) is 3-(2-azabicyclo[2.2.1]heptan-2-ylmethyl)-4-methoxybenzoic acid.
What is the SMILES notation for 3-(2-azabicyclo[2.2.1]heptan-2-ylmethyl)-4-methoxybenzoic acid?
The canonical SMILES for 3-(2-azabicyclo[2.2.1]heptan-2-ylmethyl)-4-methoxybenzoic acid is COc1ccc(C(=O)O)cc1CN1CC2CCC1C2.
What is the InChIKey of 3-(2-azabicyclo[2.2.1]heptan-2-ylmethyl)-4-methoxybenzoic acid?
The InChIKey is SUVJLZKCUSKYBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NO3/c1-19-14-5-3-11(15(17)18)7-12(14)9-16-8-10-2-4-13(16)6-10/h3,5,7,10,13H,2,4,6,8-9H2,1H3,(H,17,18).
What are the key properties of 3-(2-azabicyclo[2.2.1]heptan-2-ylmethyl)-4-methoxybenzoic acid?
3-(2-azabicyclo[2.2.1]heptan-2-ylmethyl)-4-methoxybenzoic acid has a molecular weight of 261.32 g/mol, XLogP of 2.38, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-azabicyclo[2.2.1]heptan-2-ylmethyl)-4-methoxybenzoic acid is sourced from PubChem (CID 62018786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).