6-(3-cyclopentylpropanoylamino)hexanoic acid

C14H25NO3 — CID 16784943

IUPAC6-(3-cyclopentylpropanoylamino)hexanoic acid
SMILESO=C(O)CCCCCNC(=O)CCC1CCCC1
InChIInChI=1S/C14H25NO3/c16-13(10-9-12-6-3-4-7-12)15-11-5-1-2-8-14(17)18/h12H,1-11H2,(H,15,16)(H,17,18)
InChIKeyDOAILGOIUPRPFY-UHFFFAOYSA-N
MW255.36 g/mol
LogP2.72
Rot. Bonds9

About 6-(3-cyclopentylpropanoylamino)hexanoic acid

6-(3-cyclopentylpropanoylamino)hexanoic acid (PubChem CID 16784943) has the molecular formula C14H25NO3 and a molecular weight of 255.36 g/mol. Its IUPAC name is 6-(3-cyclopentylpropanoylamino)hexanoic acid.

Molecular Properties

Compound Name6-(3-cyclopentylpropanoylamino)hexanoic acid
PubChem CID16784943
Molecular FormulaC14H25NO3
Molecular Weight255.36 g/mol
Exact Mass255.18
IUPAC Name6-(3-cyclopentylpropanoylamino)hexanoic acid
SMILESO=C(O)CCCCCNC(=O)CCC1CCCC1
InChIInChI=1S/C14H25NO3/c16-13(10-9-12-6-3-4-7-12)15-11-5-1-2-8-14(17)18/h12H,1-11H2,(H,15,16)(H,17,18)
InChIKeyDOAILGOIUPRPFY-UHFFFAOYSA-N
XLogP2.72
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.36
LogP ≤ 52.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

7-(3-cyclopentylpropanoylamino)heptanoic acid
CID 24697400
6-(4-cyclopentylbutanoylamino)hexanoic acid
CID 119220158
3-cyclopentyl-N-[7-(3-cyclopentylpropanoylamino)heptyl]propanamide
CID 5183874
3-cyclohexyl-N-undecylpropanamide
CID 5146202
4-(3-cyclodecylpropylamino)-4-oxobutanoic acid
CID 146506489
3-(4-cyclohexylbutanoylamino)propanoic acid
CID 43241269
12-[[14-(11-carboxyundecylamino)-14-oxotetradecanoyl]amino]dodecanoic acid
CID 139798562
9-[6-(8-carboxyoctanoylamino)hexylamino]-9-oxononanoic acid
CID 139798563
4-(2-cyclohexylethylamino)-4-oxobutanoic acid
CID 60919559
5-(3-cyclopentylpropylamino)pentanoic acid
CID 106004168
19-cyclohexylnonadecanoic acid
CID 71352938
7-cyclohexylheptanoic acid
CID 71560336

Frequently Asked Questions

What is the IUPAC name of 6-(3-cyclopentylpropanoylamino)hexanoic acid?
The IUPAC name of 6-(3-cyclopentylpropanoylamino)hexanoic acid (CID 16784943) is 6-(3-cyclopentylpropanoylamino)hexanoic acid.
What is the SMILES notation for 6-(3-cyclopentylpropanoylamino)hexanoic acid?
The canonical SMILES for 6-(3-cyclopentylpropanoylamino)hexanoic acid is O=C(O)CCCCCNC(=O)CCC1CCCC1.
What is the InChIKey of 6-(3-cyclopentylpropanoylamino)hexanoic acid?
The InChIKey is DOAILGOIUPRPFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25NO3/c16-13(10-9-12-6-3-4-7-12)15-11-5-1-2-8-14(17)18/h12H,1-11H2,(H,15,16)(H,17,18).
What are the key properties of 6-(3-cyclopentylpropanoylamino)hexanoic acid?
6-(3-cyclopentylpropanoylamino)hexanoic acid has a molecular weight of 255.36 g/mol, XLogP of 2.72, 9 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-cyclopentylpropanoylamino)hexanoic acid is sourced from PubChem (CID 16784943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).