[2-(cycloheptylamino)-2-oxoethyl] 3-cyclopentylpropanoate

C17H29NO3 — CID 2347226

IUPAC[2-(cycloheptylamino)-2-oxoethyl] 3-cyclopentylpropanoate
SMILESO=C(COC(=O)CCC1CCCC1)NC1CCCCCC1
InChIInChI=1S/C17H29NO3/c19-16(18-15-9-3-1-2-4-10-15)13-21-17(20)12-11-14-7-5-6-8-14/h14-15H,1-13H2,(H,18,19)
InChIKeyWWQCQMCYJOMFOY-UHFFFAOYSA-N
MW295.42 g/mol
LogP3.34
Rot. Bonds6

About [2-(cycloheptylamino)-2-oxoethyl] 3-cyclopentylpropanoate

[2-(cycloheptylamino)-2-oxoethyl] 3-cyclopentylpropanoate (PubChem CID 2347226) has the molecular formula C17H29NO3 and a molecular weight of 295.42 g/mol. Its IUPAC name is [2-(cycloheptylamino)-2-oxoethyl] 3-cyclopentylpropanoate.

Molecular Properties

Compound Name[2-(cycloheptylamino)-2-oxoethyl] 3-cyclopentylpropanoate
PubChem CID2347226
Molecular FormulaC17H29NO3
Molecular Weight295.42 g/mol
Exact Mass295.21
IUPAC Name[2-(cycloheptylamino)-2-oxoethyl] 3-cyclopentylpropanoate
SMILESO=C(COC(=O)CCC1CCCC1)NC1CCCCCC1
InChIInChI=1S/C17H29NO3/c19-16(18-15-9-3-1-2-4-10-15)13-21-17(20)12-11-14-7-5-6-8-14/h14-15H,1-13H2,(H,18,19)
InChIKeyWWQCQMCYJOMFOY-UHFFFAOYSA-N
XLogP3.34
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.42
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [2-(cycloheptylamino)-2-oxoethyl] 3-cyclopentylpropanoate?
The IUPAC name of [2-(cycloheptylamino)-2-oxoethyl] 3-cyclopentylpropanoate (CID 2347226) is [2-(cycloheptylamino)-2-oxoethyl] 3-cyclopentylpropanoate.
What is the SMILES notation for [2-(cycloheptylamino)-2-oxoethyl] 3-cyclopentylpropanoate?
The canonical SMILES for [2-(cycloheptylamino)-2-oxoethyl] 3-cyclopentylpropanoate is O=C(COC(=O)CCC1CCCC1)NC1CCCCCC1.
What is the InChIKey of [2-(cycloheptylamino)-2-oxoethyl] 3-cyclopentylpropanoate?
The InChIKey is WWQCQMCYJOMFOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29NO3/c19-16(18-15-9-3-1-2-4-10-15)13-21-17(20)12-11-14-7-5-6-8-14/h14-15H,1-13H2,(H,18,19).
What are the key properties of [2-(cycloheptylamino)-2-oxoethyl] 3-cyclopentylpropanoate?
[2-(cycloheptylamino)-2-oxoethyl] 3-cyclopentylpropanoate has a molecular weight of 295.42 g/mol, XLogP of 3.34, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(cycloheptylamino)-2-oxoethyl] 3-cyclopentylpropanoate is sourced from PubChem (CID 2347226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).