3-cyclopentyloxypropanoic acid

C8H14O3 — CID 24706641

IUPAC3-cyclopentyloxypropanoic acid
SMILESO=C(O)CCOC1CCCC1
InChIInChI=1S/C8H14O3/c9-8(10)5-6-11-7-3-1-2-4-7/h7H,1-6H2,(H,9,10)
InChIKeyIRBKQZXDMTUMQT-UHFFFAOYSA-N
MW158.20 g/mol
LogP1.42
Rot. Bonds4

About 3-cyclopentyloxypropanoic acid

3-cyclopentyloxypropanoic acid (PubChem CID 24706641) has the molecular formula C8H14O3 and a molecular weight of 158.20 g/mol. Its IUPAC name is 3-cyclopentyloxypropanoic acid.

Molecular Properties

Compound Name3-cyclopentyloxypropanoic acid
PubChem CID24706641
Molecular FormulaC8H14O3
Molecular Weight158.20 g/mol
Exact Mass158.09
IUPAC Name3-cyclopentyloxypropanoic acid
SMILESO=C(O)CCOC1CCCC1
InChIInChI=1S/C8H14O3/c9-8(10)5-6-11-7-3-1-2-4-7/h7H,1-6H2,(H,9,10)
InChIKeyIRBKQZXDMTUMQT-UHFFFAOYSA-N
XLogP1.42
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.20
LogP ≤ 51.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 3-cyclopentyloxypropanoic 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-(2-carboxyethoxy)piperidine-1-carboxylic acid
CID 154257989
2-cycloheptyloxyacetic acid
CID 61069533
2-cyclododecyloxyacetic acid
CID 19371812
3-[1-(2-aminoethyl)piperidin-4-yl]oxypropanoic acid
CID 63904578
3-[1-[(2R)-piperidine-2-carbonyl]piperidin-4-yl]oxypropanoic acid
CID 104913988
3-[1-(4-aminopiperidine-1-carbonyl)piperidin-4-yl]oxypropanoic acid
CID 63875586
3-[1-(methylcarbamoyl)piperidin-4-yl]oxypropanoic acid
CID 63874882
5-cyclohexyloxy-2-methylidenepentanoic acid
CID 66778436
bis(2-cyclohexyloxyethyl) carbonate
CID 139670101
3-[1-[(1-hydroxycyclohexyl)methyl]piperidin-4-yl]oxypropanoic acid
CID 65213724
4-(2-cyclohexyloxyethylsulfamoyl)butanoic acid
CID 63826618
3-(1-phenylpiperidin-4-yl)oxypropanoic acid
CID 174770729

Frequently Asked Questions

What is the IUPAC name of 3-cyclopentyloxypropanoic acid?
The IUPAC name of 3-cyclopentyloxypropanoic acid (CID 24706641) is 3-cyclopentyloxypropanoic acid.
What is the SMILES notation for 3-cyclopentyloxypropanoic acid?
The canonical SMILES for 3-cyclopentyloxypropanoic acid is O=C(O)CCOC1CCCC1.
What is the InChIKey of 3-cyclopentyloxypropanoic acid?
The InChIKey is IRBKQZXDMTUMQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14O3/c9-8(10)5-6-11-7-3-1-2-4-7/h7H,1-6H2,(H,9,10).
What are the key properties of 3-cyclopentyloxypropanoic acid?
3-cyclopentyloxypropanoic acid has a molecular weight of 158.20 g/mol, XLogP of 1.42, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopentyloxypropanoic acid is sourced from PubChem (CID 24706641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).