4-[2-[cyclopentylmethyl(methyl)amino]ethoxy]benzoic acid

C16H23NO3 — CID 63630897

IUPAC4-[2-[cyclopentylmethyl(methyl)amino]ethoxy]benzoic acid
SMILESCN(CCOc1ccc(C(=O)O)cc1)CC1CCCC1
InChIInChI=1S/C16H23NO3/c1-17(12-13-4-2-3-5-13)10-11-20-15-8-6-14(7-9-15)16(18)19/h6-9,13H,2-5,10-12H2,1H3,(H,18,19)
InChIKeyNJZGHQZHPBIWFK-UHFFFAOYSA-N
MW277.36 g/mol
LogP2.89
Rot. Bonds7

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

4-[2-[cyclopentylmethyl(methyl)amino]ethoxy]benzoic acid (PubChem CID 63630897) has the molecular formula C16H23NO3 and a molecular weight of 277.36 g/mol. Its IUPAC name is 4-[2-[cyclopentylmethyl(methyl)amino]ethoxy]benzoic acid.

Molecular Properties

Compound Name4-[2-[cyclopentylmethyl(methyl)amino]ethoxy]benzoic acid
PubChem CID63630897
Molecular FormulaC16H23NO3
Molecular Weight277.36 g/mol
Exact Mass277.17
IUPAC Name4-[2-[cyclopentylmethyl(methyl)amino]ethoxy]benzoic acid
SMILESCN(CCOc1ccc(C(=O)O)cc1)CC1CCCC1
InChIInChI=1S/C16H23NO3/c1-17(12-13-4-2-3-5-13)10-11-20-15-8-6-14(7-9-15)16(18)19/h6-9,13H,2-5,10-12H2,1H3,(H,18,19)
InChIKeyNJZGHQZHPBIWFK-UHFFFAOYSA-N
XLogP2.89
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.36
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-[2-[cyclopropylmethyl(methyl)amino]ethoxy]benzohydrazide
CID 55215002
4-[3-[cyclohexyl(methyl)amino]propoxy]benzoic acid
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3-[3-[cyclobutylmethyl(methyl)amino]propoxy]benzoic acid
CID 63073190
3-[2-[cyclopentylmethyl(methyl)amino]ethoxy]benzohydrazide
CID 63657559
4-[2-[methyl(oxan-4-yl)amino]ethoxy]benzoic acid
CID 43611392
2-[4-[2-[cyclobutylmethyl(methyl)amino]ethoxy]phenyl]ethanamine
CID 62860390
4-[3-[methyl-(1-methylpiperidin-4-yl)amino]propoxy]benzoic acid
CID 20985865
4-[3-[cyclohexylmethyl(methyl)amino]propoxy]aniline
CID 61444128
4-[2-[butyl(cyclopropyl)amino]ethoxy]benzoic acid
CID 61441620
4-[2-[methyl(oxan-4-ylmethyl)amino]ethoxy]benzenecarbothioamide
CID 63712202
4-[2-[methyl-[2-(N-methylanilino)ethyl]amino]ethoxy]benzoic acid
CID 71207284
4-[2-[methyl(pyridin-3-ylmethyl)amino]ethoxy]benzoic acid
CID 43563550

Frequently Asked Questions

What is the IUPAC name of 4-[2-[cyclopentylmethyl(methyl)amino]ethoxy]benzoic acid?
The IUPAC name of 4-[2-[cyclopentylmethyl(methyl)amino]ethoxy]benzoic acid (CID 63630897) is 4-[2-[cyclopentylmethyl(methyl)amino]ethoxy]benzoic acid.
What is the SMILES notation for 4-[2-[cyclopentylmethyl(methyl)amino]ethoxy]benzoic acid?
The canonical SMILES for 4-[2-[cyclopentylmethyl(methyl)amino]ethoxy]benzoic acid is CN(CCOc1ccc(C(=O)O)cc1)CC1CCCC1.
What is the InChIKey of 4-[2-[cyclopentylmethyl(methyl)amino]ethoxy]benzoic acid?
The InChIKey is NJZGHQZHPBIWFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO3/c1-17(12-13-4-2-3-5-13)10-11-20-15-8-6-14(7-9-15)16(18)19/h6-9,13H,2-5,10-12H2,1H3,(H,18,19).
What are the key properties of 4-[2-[cyclopentylmethyl(methyl)amino]ethoxy]benzoic acid?
4-[2-[cyclopentylmethyl(methyl)amino]ethoxy]benzoic acid has a molecular weight of 277.36 g/mol, XLogP of 2.89, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[cyclopentylmethyl(methyl)amino]ethoxy]benzoic acid is sourced from PubChem (CID 63630897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).