3-[2-(3-cyclopentylpropanoylamino)ethyl]benzoic acid

C17H23NO3 — CID 63793330

IUPAC3-[2-(3-cyclopentylpropanoylamino)ethyl]benzoic acid
SMILESO=C(CCC1CCCC1)NCCc1cccc(C(=O)O)c1
InChIInChI=1S/C17H23NO3/c19-16(9-8-13-4-1-2-5-13)18-11-10-14-6-3-7-15(12-14)17(20)21/h3,6-7,12-13H,1-2,4-5,8-11H2,(H,18,19)(H,20,21)
InChIKeyGWPHWHDHWXSYRR-UHFFFAOYSA-N
MW289.37 g/mol
LogP3.01
Rot. Bonds7

About 3-[2-(3-cyclopentylpropanoylamino)ethyl]benzoic acid

3-[2-(3-cyclopentylpropanoylamino)ethyl]benzoic acid (PubChem CID 63793330) has the molecular formula C17H23NO3 and a molecular weight of 289.37 g/mol. Its IUPAC name is 3-[2-(3-cyclopentylpropanoylamino)ethyl]benzoic acid.

Molecular Properties

Compound Name3-[2-(3-cyclopentylpropanoylamino)ethyl]benzoic acid
PubChem CID63793330
Molecular FormulaC17H23NO3
Molecular Weight289.37 g/mol
Exact Mass289.17
IUPAC Name3-[2-(3-cyclopentylpropanoylamino)ethyl]benzoic acid
SMILESO=C(CCC1CCCC1)NCCc1cccc(C(=O)O)c1
InChIInChI=1S/C17H23NO3/c19-16(9-8-13-4-1-2-5-13)18-11-10-14-6-3-7-15(12-14)17(20)21/h3,6-7,12-13H,1-2,4-5,8-11H2,(H,18,19)(H,20,21)
InChIKeyGWPHWHDHWXSYRR-UHFFFAOYSA-N
XLogP3.01
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.37
LogP ≤ 53.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-[2-(3-cyclobutylpropanoylamino)ethyl]benzoic acid
CID 120512953
3-[2-(cycloheptanecarbonylamino)ethyl]benzoic acid
CID 63795982
3-[2-(cyclohexanecarbonylamino)ethyl]benzoic acid
CID 63795104
N-[2-[3,4-bis(hydroxymethyl)phenyl]ethyl]-3-cyclohexylpropanamide
CID 156687030
3-[2-(oxane-2-carbonylamino)ethyl]benzoic acid
CID 63795107
3-[[2-(3-cyclopentylpropanoylamino)acetyl]amino]benzoic acid
CID 75429242
3-[2-[3-(oxan-4-yloxy)propanoylamino]ethyl]benzoic acid
CID 120535508
3-[(2-cyclopentylethylcarbamoylamino)methyl]benzoic acid
CID 61205581
3-[2-[2-(oxan-3-yl)ethylamino]-2-oxoethyl]benzoic acid
CID 136556483
3-cyclohexyl-N-[2-(2-hydroxyphenyl)ethyl]propanamide
CID 110483602
3-[2-[(2-methoxyacetyl)amino]ethyl]benzoic acid
CID 63795093
3-[2-[(2-amino-2-cyclopropylpropanoyl)amino]ethyl]benzoic acid
CID 63793901

Frequently Asked Questions

What is the IUPAC name of 3-[2-(3-cyclopentylpropanoylamino)ethyl]benzoic acid?
The IUPAC name of 3-[2-(3-cyclopentylpropanoylamino)ethyl]benzoic acid (CID 63793330) is 3-[2-(3-cyclopentylpropanoylamino)ethyl]benzoic acid.
What is the SMILES notation for 3-[2-(3-cyclopentylpropanoylamino)ethyl]benzoic acid?
The canonical SMILES for 3-[2-(3-cyclopentylpropanoylamino)ethyl]benzoic acid is O=C(CCC1CCCC1)NCCc1cccc(C(=O)O)c1.
What is the InChIKey of 3-[2-(3-cyclopentylpropanoylamino)ethyl]benzoic acid?
The InChIKey is GWPHWHDHWXSYRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23NO3/c19-16(9-8-13-4-1-2-5-13)18-11-10-14-6-3-7-15(12-14)17(20)21/h3,6-7,12-13H,1-2,4-5,8-11H2,(H,18,19)(H,20,21).
What are the key properties of 3-[2-(3-cyclopentylpropanoylamino)ethyl]benzoic acid?
3-[2-(3-cyclopentylpropanoylamino)ethyl]benzoic acid has a molecular weight of 289.37 g/mol, XLogP of 3.01, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(3-cyclopentylpropanoylamino)ethyl]benzoic acid is sourced from PubChem (CID 63793330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).