ethyl 2-[3-cyclopentylpropanoyl(methyl)amino]acetate

C13H23NO3 — CID 55003289

IUPACethyl 2-[3-cyclopentylpropanoyl(methyl)amino]acetate
SMILESCCOC(=O)CN(C)C(=O)CCC1CCCC1
InChIInChI=1S/C13H23NO3/c1-3-17-13(16)10-14(2)12(15)9-8-11-6-4-5-7-11/h11H,3-10H2,1-2H3
InChIKeyCXMFFEVRZAQVOD-UHFFFAOYSA-N
MW241.33 g/mol
LogP1.98
Rot. Bonds6

About ethyl 2-[3-cyclopentylpropanoyl(methyl)amino]acetate

ethyl 2-[3-cyclopentylpropanoyl(methyl)amino]acetate (PubChem CID 55003289) has the molecular formula C13H23NO3 and a molecular weight of 241.33 g/mol. Its IUPAC name is ethyl 2-[3-cyclopentylpropanoyl(methyl)amino]acetate.

Molecular Properties

Compound Nameethyl 2-[3-cyclopentylpropanoyl(methyl)amino]acetate
PubChem CID55003289
Molecular FormulaC13H23NO3
Molecular Weight241.33 g/mol
Exact Mass241.17
IUPAC Nameethyl 2-[3-cyclopentylpropanoyl(methyl)amino]acetate
SMILESCCOC(=O)CN(C)C(=O)CCC1CCCC1
InChIInChI=1S/C13H23NO3/c1-3-17-13(16)10-14(2)12(15)9-8-11-6-4-5-7-11/h11H,3-10H2,1-2H3
InChIKeyCXMFFEVRZAQVOD-UHFFFAOYSA-N
XLogP1.98
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.33
LogP ≤ 51.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-[3-cyclopentylpropanoyl(methyl)amino]acetate?
The IUPAC name of ethyl 2-[3-cyclopentylpropanoyl(methyl)amino]acetate (CID 55003289) is ethyl 2-[3-cyclopentylpropanoyl(methyl)amino]acetate.
What is the SMILES notation for ethyl 2-[3-cyclopentylpropanoyl(methyl)amino]acetate?
The canonical SMILES for ethyl 2-[3-cyclopentylpropanoyl(methyl)amino]acetate is CCOC(=O)CN(C)C(=O)CCC1CCCC1.
What is the InChIKey of ethyl 2-[3-cyclopentylpropanoyl(methyl)amino]acetate?
The InChIKey is CXMFFEVRZAQVOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23NO3/c1-3-17-13(16)10-14(2)12(15)9-8-11-6-4-5-7-11/h11H,3-10H2,1-2H3.
What are the key properties of ethyl 2-[3-cyclopentylpropanoyl(methyl)amino]acetate?
ethyl 2-[3-cyclopentylpropanoyl(methyl)amino]acetate has a molecular weight of 241.33 g/mol, XLogP of 1.98, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[3-cyclopentylpropanoyl(methyl)amino]acetate is sourced from PubChem (CID 55003289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).