ethyl 1-(3-cyclopentylpropanoyl)pyrrolidine-2-carboxylate

C15H25NO3 — CID 55006307

IUPACethyl 1-(3-cyclopentylpropanoyl)pyrrolidine-2-carboxylate
SMILESCCOC(=O)C1CCCN1C(=O)CCC1CCCC1
InChIInChI=1S/C15H25NO3/c1-2-19-15(18)13-8-5-11-16(13)14(17)10-9-12-6-3-4-7-12/h12-13H,2-11H2,1H3
InChIKeyZXSAAFVNQNIZPW-UHFFFAOYSA-N
MW267.37 g/mol
LogP2.51
Rot. Bonds5

About ethyl 1-(3-cyclopentylpropanoyl)pyrrolidine-2-carboxylate

ethyl 1-(3-cyclopentylpropanoyl)pyrrolidine-2-carboxylate (PubChem CID 55006307) has the molecular formula C15H25NO3 and a molecular weight of 267.37 g/mol. Its IUPAC name is ethyl 1-(3-cyclopentylpropanoyl)pyrrolidine-2-carboxylate.

Molecular Properties

Compound Nameethyl 1-(3-cyclopentylpropanoyl)pyrrolidine-2-carboxylate
PubChem CID55006307
Molecular FormulaC15H25NO3
Molecular Weight267.37 g/mol
Exact Mass267.18
IUPAC Nameethyl 1-(3-cyclopentylpropanoyl)pyrrolidine-2-carboxylate
SMILESCCOC(=O)C1CCCN1C(=O)CCC1CCCC1
InChIInChI=1S/C15H25NO3/c1-2-19-15(18)13-8-5-11-16(13)14(17)10-9-12-6-3-4-7-12/h12-13H,2-11H2,1H3
InChIKeyZXSAAFVNQNIZPW-UHFFFAOYSA-N
XLogP2.51
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.37
LogP ≤ 52.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

L-Proline, N-(cyclohexanecarbonyl)-, ethyl ester
CID 54979384
l-Proline, N-(3-cyclopentylpropionyl)-, methyl ester
CID 531446
l-Proline, N-capryloyl-, methyl ester
CID 531516
l-Proline, N-methoxycarbonyl-, isohexyl ester
CID 6422705
Sarcosine, N-(3-cyclopentylpropionyl)-, ethyl ester
CID 55003289
L-Proline, N-octanoyl-, ethyl ester
CID 55006107
Sarcosine, N-(3-cyclopentylpropionyl)-, isohexyl ester
CID 91692193
Sarcosine, N-(3-cyclopentylpropionyl)-, propyl ester
CID 91692218
Sarcosine, N-(3-cyclopentylpropionyl)-, butyl ester
CID 91692221
Sarcosine, N-(3-cyclopentylpropionyl)-, isobutyl ester
CID 91692222
Sarcosine, N-(3-cyclopentylpropionyl)-, pentyl ester
CID 91692224
Sarcosine, N-(3-cyclopentylpropionyl)-, hexyl ester
CID 91692226

Frequently Asked Questions

What is the IUPAC name of ethyl 1-(3-cyclopentylpropanoyl)pyrrolidine-2-carboxylate?
The IUPAC name of ethyl 1-(3-cyclopentylpropanoyl)pyrrolidine-2-carboxylate (CID 55006307) is ethyl 1-(3-cyclopentylpropanoyl)pyrrolidine-2-carboxylate.
What is the SMILES notation for ethyl 1-(3-cyclopentylpropanoyl)pyrrolidine-2-carboxylate?
The canonical SMILES for ethyl 1-(3-cyclopentylpropanoyl)pyrrolidine-2-carboxylate is CCOC(=O)C1CCCN1C(=O)CCC1CCCC1.
What is the InChIKey of ethyl 1-(3-cyclopentylpropanoyl)pyrrolidine-2-carboxylate?
The InChIKey is ZXSAAFVNQNIZPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NO3/c1-2-19-15(18)13-8-5-11-16(13)14(17)10-9-12-6-3-4-7-12/h12-13H,2-11H2,1H3.
What are the key properties of ethyl 1-(3-cyclopentylpropanoyl)pyrrolidine-2-carboxylate?
ethyl 1-(3-cyclopentylpropanoyl)pyrrolidine-2-carboxylate has a molecular weight of 267.37 g/mol, XLogP of 2.51, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-(3-cyclopentylpropanoyl)pyrrolidine-2-carboxylate is sourced from PubChem (CID 55006307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).