2-[cyclopentylmethyl(methyl)amino]-4-methoxybenzoic acid

C15H21NO3 — CID 81309673

IUPAC2-[cyclopentylmethyl(methyl)amino]-4-methoxybenzoic acid
SMILESCOc1ccc(C(=O)O)c(N(C)CC2CCCC2)c1
InChIInChI=1S/C15H21NO3/c1-16(10-11-5-3-4-6-11)14-9-12(19-2)7-8-13(14)15(17)18/h7-9,11H,3-6,10H2,1-2H3,(H,17,18)
InChIKeyDCGOXPPLCRLWMW-UHFFFAOYSA-N
MW263.34 g/mol
LogP3.02
Rot. Bonds5

About 2-[cyclopentylmethyl(methyl)amino]-4-methoxybenzoic acid

2-[cyclopentylmethyl(methyl)amino]-4-methoxybenzoic acid (PubChem CID 81309673) has the molecular formula C15H21NO3 and a molecular weight of 263.34 g/mol. Its IUPAC name is 2-[cyclopentylmethyl(methyl)amino]-4-methoxybenzoic acid.

Molecular Properties

Compound Name2-[cyclopentylmethyl(methyl)amino]-4-methoxybenzoic acid
PubChem CID81309673
Molecular FormulaC15H21NO3
Molecular Weight263.34 g/mol
Exact Mass263.15
IUPAC Name2-[cyclopentylmethyl(methyl)amino]-4-methoxybenzoic acid
SMILESCOc1ccc(C(=O)O)c(N(C)CC2CCCC2)c1
InChIInChI=1S/C15H21NO3/c1-16(10-11-5-3-4-6-11)14-9-12(19-2)7-8-13(14)15(17)18/h7-9,11H,3-6,10H2,1-2H3,(H,17,18)
InChIKeyDCGOXPPLCRLWMW-UHFFFAOYSA-N
XLogP3.02
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[cyclopentylmethyl(methyl)amino]-4-methoxybenzenecarbothioamide
CID 81306773
2-[ethyl(methyl)amino]-4-methoxybenzoic acid
CID 81304499
2-[cyclopentylmethyl(methyl)amino]benzoic acid
CID 63632821
2-[cyclopropylmethyl(propan-2-yl)amino]-4-methoxybenzoic acid
CID 81305400
2-[cyclohexylmethyl(methyl)amino]benzoic acid
CID 61446190
N'-hydroxy-4-methoxy-2-[methyl(oxan-3-ylmethyl)amino]benzenecarboximidamide
CID 81296988
2-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]-4-methoxybenzoic acid
CID 81305180
2-amino-4-[cyclohexylmethyl(methyl)amino]benzoic acid
CID 113419748
2-amino-5-[cyclopentylmethyl(methyl)amino]-4-fluorobenzoic acid
CID 55250037
2-[(3-hydroxycyclobutyl)methyl-methylamino]-4-methoxybenzenecarboximidamide
CID 81302452
2-[cyclobutylmethyl(methyl)amino]-5-(trifluoromethyl)benzoic acid
CID 62856621
N-[(3-aminocyclobutyl)methyl]-2,5-dimethoxy-N-methylaniline
CID 115213906

Frequently Asked Questions

What is the IUPAC name of 2-[cyclopentylmethyl(methyl)amino]-4-methoxybenzoic acid?
The IUPAC name of 2-[cyclopentylmethyl(methyl)amino]-4-methoxybenzoic acid (CID 81309673) is 2-[cyclopentylmethyl(methyl)amino]-4-methoxybenzoic acid.
What is the SMILES notation for 2-[cyclopentylmethyl(methyl)amino]-4-methoxybenzoic acid?
The canonical SMILES for 2-[cyclopentylmethyl(methyl)amino]-4-methoxybenzoic acid is COc1ccc(C(=O)O)c(N(C)CC2CCCC2)c1.
What is the InChIKey of 2-[cyclopentylmethyl(methyl)amino]-4-methoxybenzoic acid?
The InChIKey is DCGOXPPLCRLWMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO3/c1-16(10-11-5-3-4-6-11)14-9-12(19-2)7-8-13(14)15(17)18/h7-9,11H,3-6,10H2,1-2H3,(H,17,18).
What are the key properties of 2-[cyclopentylmethyl(methyl)amino]-4-methoxybenzoic acid?
2-[cyclopentylmethyl(methyl)amino]-4-methoxybenzoic acid has a molecular weight of 263.34 g/mol, XLogP of 3.02, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[cyclopentylmethyl(methyl)amino]-4-methoxybenzoic acid is sourced from PubChem (CID 81309673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).