5-(3-cyclopentylpropylamino)pentanoic acid

C13H25NO2 — CID 106004168

IUPAC5-(3-cyclopentylpropylamino)pentanoic acid
SMILESO=C(O)CCCCNCCCC1CCCC1
InChIInChI=1S/C13H25NO2/c15-13(16)9-3-4-10-14-11-5-8-12-6-1-2-7-12/h12,14H,1-11H2,(H,15,16)
InChIKeyZCFRYBXCQCKFLK-UHFFFAOYSA-N
MW227.35 g/mol
LogP2.80
Rot. Bonds9

About 5-(3-cyclopentylpropylamino)pentanoic acid

5-(3-cyclopentylpropylamino)pentanoic acid (PubChem CID 106004168) has the molecular formula C13H25NO2 and a molecular weight of 227.35 g/mol. Its IUPAC name is 5-(3-cyclopentylpropylamino)pentanoic acid.

Molecular Properties

Compound Name5-(3-cyclopentylpropylamino)pentanoic acid
PubChem CID106004168
Molecular FormulaC13H25NO2
Molecular Weight227.35 g/mol
Exact Mass227.19
IUPAC Name5-(3-cyclopentylpropylamino)pentanoic acid
SMILESO=C(O)CCCCNCCCC1CCCC1
InChIInChI=1S/C13H25NO2/c15-13(16)9-3-4-10-14-11-5-8-12-6-1-2-7-12/h12,14H,1-11H2,(H,15,16)
InChIKeyZCFRYBXCQCKFLK-UHFFFAOYSA-N
XLogP2.80
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.35
LogP ≤ 52.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 5-(3-cyclopentylpropylamino)pentanoic 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

7-cyclohexylheptanoic acid
CID 71560336
19-cyclohexylnonadecanoic acid
CID 71352938
7-cycloheptylheptanoic acid
CID 135077063
8-cyclooctyloctanoic acid
CID 142719661
6-(4-cyclopentylbutanoylamino)hexanoic acid
CID 119220158
4-cyclohexylbutanoic acid;λ2-plumbane
CID 173062750
8-cyclobutyloctanoic acid
CID 72551210
CID 131865884
CID 131865884
6-(3-cyclopentylpropanoylamino)hexanoic acid
CID 16784943
7-(3-cyclopentylpropanoylamino)heptanoic acid
CID 24697400
4-(cyclohexylmethylamino)butanoic acid
CID 24705289
4-(3-cyclodecylpropylamino)-4-oxobutanoic acid
CID 146506489

Frequently Asked Questions

What is the IUPAC name of 5-(3-cyclopentylpropylamino)pentanoic acid?
The IUPAC name of 5-(3-cyclopentylpropylamino)pentanoic acid (CID 106004168) is 5-(3-cyclopentylpropylamino)pentanoic acid.
What is the SMILES notation for 5-(3-cyclopentylpropylamino)pentanoic acid?
The canonical SMILES for 5-(3-cyclopentylpropylamino)pentanoic acid is O=C(O)CCCCNCCCC1CCCC1.
What is the InChIKey of 5-(3-cyclopentylpropylamino)pentanoic acid?
The InChIKey is ZCFRYBXCQCKFLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25NO2/c15-13(16)9-3-4-10-14-11-5-8-12-6-1-2-7-12/h12,14H,1-11H2,(H,15,16).
What are the key properties of 5-(3-cyclopentylpropylamino)pentanoic acid?
5-(3-cyclopentylpropylamino)pentanoic acid has a molecular weight of 227.35 g/mol, XLogP of 2.80, 9 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-cyclopentylpropylamino)pentanoic acid is sourced from PubChem (CID 106004168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).