2-[cyclopentylmethyl(methyl)amino]benzoic acid

C14H19NO2 — CID 63632821

IUPAC2-[cyclopentylmethyl(methyl)amino]benzoic acid
SMILESCN(CC1CCCC1)c1ccccc1C(=O)O
InChIInChI=1S/C14H19NO2/c1-15(10-11-6-2-3-7-11)13-9-5-4-8-12(13)14(16)17/h4-5,8-9,11H,2-3,6-7,10H2,1H3,(H,16,17)
InChIKeyCWESFZVAAJKZBB-UHFFFAOYSA-N
MW233.31 g/mol
LogP3.01
Rot. Bonds4

About 2-[cyclopentylmethyl(methyl)amino]benzoic acid

2-[cyclopentylmethyl(methyl)amino]benzoic acid (PubChem CID 63632821) has the molecular formula C14H19NO2 and a molecular weight of 233.31 g/mol. Its IUPAC name is 2-[cyclopentylmethyl(methyl)amino]benzoic acid.

Molecular Properties

Compound Name2-[cyclopentylmethyl(methyl)amino]benzoic acid
PubChem CID63632821
Molecular FormulaC14H19NO2
Molecular Weight233.31 g/mol
Exact Mass233.14
IUPAC Name2-[cyclopentylmethyl(methyl)amino]benzoic acid
SMILESCN(CC1CCCC1)c1ccccc1C(=O)O
InChIInChI=1S/C14H19NO2/c1-15(10-11-6-2-3-7-11)13-9-5-4-8-12(13)14(16)17/h4-5,8-9,11H,2-3,6-7,10H2,1H3,(H,16,17)
InChIKeyCWESFZVAAJKZBB-UHFFFAOYSA-N
XLogP3.01
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.31
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[cyclohexylmethyl(methyl)amino]benzoic acid
CID 61446190
2-[cyclohexylmethyl(methyl)amino]-5-methylbenzoic acid
CID 63537836
2-[cyclohexylmethyl(methyl)amino]benzenecarbothioamide
CID 54948078
2-[cyclopentylmethyl(methyl)amino]-4-methoxybenzoic acid
CID 81309673
1-[2-[methyl(oxan-4-ylmethyl)amino]phenyl]ethanone
CID 63711871
2-[cyclobutylmethyl(methyl)amino]-5-(trifluoromethyl)benzoic acid
CID 62856621
1-[2-[methyl(oxan-3-ylmethyl)amino]phenyl]ethanone
CID 63711171
2-amino-5-[cyclopentylmethyl(methyl)amino]-4-fluorobenzoic acid
CID 55250037
(1S)-1-[2-[cyclopentylmethyl(methyl)amino]phenyl]ethanol
CID 55247704
2-[cyclobutylmethyl(ethyl)carbamoyl]benzoic acid
CID 107397528
(1S)-1-[2-[cyclohexylmethyl(methyl)amino]phenyl]ethanol
CID 78940236
1-[2-[cyclohexylmethyl(methyl)amino]phenyl]propan-1-ol
CID 112678870

Frequently Asked Questions

What is the IUPAC name of 2-[cyclopentylmethyl(methyl)amino]benzoic acid?
The IUPAC name of 2-[cyclopentylmethyl(methyl)amino]benzoic acid (CID 63632821) is 2-[cyclopentylmethyl(methyl)amino]benzoic acid.
What is the SMILES notation for 2-[cyclopentylmethyl(methyl)amino]benzoic acid?
The canonical SMILES for 2-[cyclopentylmethyl(methyl)amino]benzoic acid is CN(CC1CCCC1)c1ccccc1C(=O)O.
What is the InChIKey of 2-[cyclopentylmethyl(methyl)amino]benzoic acid?
The InChIKey is CWESFZVAAJKZBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO2/c1-15(10-11-6-2-3-7-11)13-9-5-4-8-12(13)14(16)17/h4-5,8-9,11H,2-3,6-7,10H2,1H3,(H,16,17).
What are the key properties of 2-[cyclopentylmethyl(methyl)amino]benzoic acid?
2-[cyclopentylmethyl(methyl)amino]benzoic acid has a molecular weight of 233.31 g/mol, XLogP of 3.01, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[cyclopentylmethyl(methyl)amino]benzoic acid is sourced from PubChem (CID 63632821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).