7-(3-cyclopentylpropanoylamino)heptanoic acid

C15H27NO3 — CID 24697400

IUPAC7-(3-cyclopentylpropanoylamino)heptanoic acid
SMILESO=C(O)CCCCCCNC(=O)CCC1CCCC1
InChIInChI=1S/C15H27NO3/c17-14(11-10-13-7-4-5-8-13)16-12-6-2-1-3-9-15(18)19/h13H,1-12H2,(H,16,17)(H,18,19)
InChIKeyRXIXRYFMPZIIDS-UHFFFAOYSA-N
MW269.38 g/mol
LogP3.11
Rot. Bonds10

About 7-(3-cyclopentylpropanoylamino)heptanoic acid

7-(3-cyclopentylpropanoylamino)heptanoic acid (PubChem CID 24697400) has the molecular formula C15H27NO3 and a molecular weight of 269.38 g/mol. Its IUPAC name is 7-(3-cyclopentylpropanoylamino)heptanoic acid.

Molecular Properties

Compound Name7-(3-cyclopentylpropanoylamino)heptanoic acid
PubChem CID24697400
Molecular FormulaC15H27NO3
Molecular Weight269.38 g/mol
Exact Mass269.20
IUPAC Name7-(3-cyclopentylpropanoylamino)heptanoic acid
SMILESO=C(O)CCCCCCNC(=O)CCC1CCCC1
InChIInChI=1S/C15H27NO3/c17-14(11-10-13-7-4-5-8-13)16-12-6-2-1-3-9-15(18)19/h13H,1-12H2,(H,16,17)(H,18,19)
InChIKeyRXIXRYFMPZIIDS-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
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 7-(3-cyclopentylpropanoylamino)heptanoic acid?
The IUPAC name of 7-(3-cyclopentylpropanoylamino)heptanoic acid (CID 24697400) is 7-(3-cyclopentylpropanoylamino)heptanoic acid.
What is the SMILES notation for 7-(3-cyclopentylpropanoylamino)heptanoic acid?
The canonical SMILES for 7-(3-cyclopentylpropanoylamino)heptanoic acid is O=C(O)CCCCCCNC(=O)CCC1CCCC1.
What is the InChIKey of 7-(3-cyclopentylpropanoylamino)heptanoic acid?
The InChIKey is RXIXRYFMPZIIDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27NO3/c17-14(11-10-13-7-4-5-8-13)16-12-6-2-1-3-9-15(18)19/h13H,1-12H2,(H,16,17)(H,18,19).
What are the key properties of 7-(3-cyclopentylpropanoylamino)heptanoic acid?
7-(3-cyclopentylpropanoylamino)heptanoic 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 7-(3-cyclopentylpropanoylamino)heptanoic acid is sourced from PubChem (CID 24697400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).