6-(4-cyclopentylbutanoylamino)hexanoic acid

C15H27NO3 — CID 119220158

IUPAC6-(4-cyclopentylbutanoylamino)hexanoic acid
SMILESO=C(O)CCCCCNC(=O)CCCC1CCCC1
InChIInChI=1S/C15H27NO3/c17-14(10-6-9-13-7-3-4-8-13)16-12-5-1-2-11-15(18)19/h13H,1-12H2,(H,16,17)(H,18,19)
InChIKeyAFIGBMOBERNMNV-UHFFFAOYSA-N
MW269.38 g/mol
LogP3.11
Rot. Bonds10

About 6-(4-cyclopentylbutanoylamino)hexanoic acid

6-(4-cyclopentylbutanoylamino)hexanoic acid (PubChem CID 119220158) has the molecular formula C15H27NO3 and a molecular weight of 269.38 g/mol. Its IUPAC name is 6-(4-cyclopentylbutanoylamino)hexanoic acid.

Molecular Properties

Compound Name6-(4-cyclopentylbutanoylamino)hexanoic acid
PubChem CID119220158
Molecular FormulaC15H27NO3
Molecular Weight269.38 g/mol
Exact Mass269.20
IUPAC Name6-(4-cyclopentylbutanoylamino)hexanoic acid
SMILESO=C(O)CCCCCNC(=O)CCCC1CCCC1
InChIInChI=1S/C15H27NO3/c17-14(10-6-9-13-7-3-4-8-13)16-12-5-1-2-11-15(18)19/h13H,1-12H2,(H,16,17)(H,18,19)
InChIKeyAFIGBMOBERNMNV-UHFFFAOYSA-N
XLogP3.11
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.38
LogP ≤ 53.11
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

6-(3-cyclopentylpropanoylamino)hexanoic acid
CID 16784943
7-(3-cyclopentylpropanoylamino)heptanoic acid
CID 24697400
3-(4-cyclohexylbutanoylamino)propanoic acid
CID 43241269
4-(3-cyclodecylpropylamino)-4-oxobutanoic acid
CID 146506489
3-cyclopentyl-N-[7-(3-cyclopentylpropanoylamino)heptyl]propanamide
CID 5183874
12-[[14-(11-carboxyundecylamino)-14-oxotetradecanoyl]amino]dodecanoic acid
CID 139798562
9-[6-(8-carboxyoctanoylamino)hexylamino]-9-oxononanoic acid
CID 139798563
N-(3-aminopropyl)-4-cyclopentylbutanamide
CID 119409090
5-(3-cyclopentylpropylamino)pentanoic acid
CID 106004168
19-cyclohexylnonadecanoic acid
CID 71352938
7-cyclohexylheptanoic acid
CID 71560336
7-cycloheptylheptanoic acid
CID 135077063

Frequently Asked Questions

What is the IUPAC name of 6-(4-cyclopentylbutanoylamino)hexanoic acid?
The IUPAC name of 6-(4-cyclopentylbutanoylamino)hexanoic acid (CID 119220158) is 6-(4-cyclopentylbutanoylamino)hexanoic acid.
What is the SMILES notation for 6-(4-cyclopentylbutanoylamino)hexanoic acid?
The canonical SMILES for 6-(4-cyclopentylbutanoylamino)hexanoic acid is O=C(O)CCCCCNC(=O)CCCC1CCCC1.
What is the InChIKey of 6-(4-cyclopentylbutanoylamino)hexanoic acid?
The InChIKey is AFIGBMOBERNMNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27NO3/c17-14(10-6-9-13-7-3-4-8-13)16-12-5-1-2-11-15(18)19/h13H,1-12H2,(H,16,17)(H,18,19).
What are the key properties of 6-(4-cyclopentylbutanoylamino)hexanoic acid?
6-(4-cyclopentylbutanoylamino)hexanoic acid has a molecular weight of 269.38 g/mol, XLogP of 3.11, 10 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-cyclopentylbutanoylamino)hexanoic acid is sourced from PubChem (CID 119220158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).