ethyl 1-(2-cyclopentylacetyl)pyrrolidine-2-carboxylate

C14H23NO3 — CID 55005769

IUPACethyl 1-(2-cyclopentylacetyl)pyrrolidine-2-carboxylate
SMILESCCOC(=O)C1CCCN1C(=O)CC1CCCC1
InChIInChI=1S/C14H23NO3/c1-2-18-14(17)12-8-5-9-15(12)13(16)10-11-6-3-4-7-11/h11-12H,2-10H2,1H3
InChIKeyRICOAUCEUPUBIB-UHFFFAOYSA-N
MW253.34 g/mol
LogP2.12
Rot. Bonds4

About ethyl 1-(2-cyclopentylacetyl)pyrrolidine-2-carboxylate

ethyl 1-(2-cyclopentylacetyl)pyrrolidine-2-carboxylate (PubChem CID 55005769) has the molecular formula C14H23NO3 and a molecular weight of 253.34 g/mol. Its IUPAC name is ethyl 1-(2-cyclopentylacetyl)pyrrolidine-2-carboxylate.

Molecular Properties

Compound Nameethyl 1-(2-cyclopentylacetyl)pyrrolidine-2-carboxylate
PubChem CID55005769
Molecular FormulaC14H23NO3
Molecular Weight253.34 g/mol
Exact Mass253.17
IUPAC Nameethyl 1-(2-cyclopentylacetyl)pyrrolidine-2-carboxylate
SMILESCCOC(=O)C1CCCN1C(=O)CC1CCCC1
InChIInChI=1S/C14H23NO3/c1-2-18-14(17)12-8-5-9-15(12)13(16)10-11-6-3-4-7-11/h11-12H,2-10H2,1H3
InChIKeyRICOAUCEUPUBIB-UHFFFAOYSA-N
XLogP2.12
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.34
LogP ≤ 52.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl 1-propanoylpyrrolidine-2-carboxylate
CID 11845503
ethyl 1-(2-piperidin-3-ylacetyl)piperidine-2-carboxylate
CID 62676158
ethyl (2R)-1-[6-[(2R)-2-ethoxycarbonylpyrrolidin-1-yl]-6-oxohexanoyl]pyrrolidine-2-carboxylate
CID 10150705
ethyl 1-[2-(1,1-dioxothiolan-3-yl)acetyl]piperidine-2-carboxylate
CID 78915883
ethyl 1-(2-cycloheptylacetyl)piperazine-2-carboxylate
CID 115737538
ethyl 1-(3,3-dimethylbutanoyl)pyrrolidine-2-carboxylate
CID 55005582
ethyl 1-(3-ethoxypropanoyl)pyrrolidine-2-carboxylate
CID 62591032
methyl (2R)-1-(2-cyclobutylacetyl)piperidine-2-carboxylate
CID 103737516
1-[6-(2-ethoxycarbonylpyrrolidin-1-yl)-6-oxohexanoyl]pyrrolidine-2-carboxylic acid
CID 22398183
ethyl (2S)-1-[2-(1,2,3,4-tetrahydronaphthalen-2-yl)acetyl]pyrrolidine-2-carboxylate
CID 57027545
ethyl 1-(3-methylpentanoyl)pyrrolidine-2-carboxylate
CID 114875756
ethyl 1-[2-(3-methylazetidin-3-yl)oxyacetyl]piperidine-2-carboxylate
CID 102655936

Frequently Asked Questions

What is the IUPAC name of ethyl 1-(2-cyclopentylacetyl)pyrrolidine-2-carboxylate?
The IUPAC name of ethyl 1-(2-cyclopentylacetyl)pyrrolidine-2-carboxylate (CID 55005769) is ethyl 1-(2-cyclopentylacetyl)pyrrolidine-2-carboxylate.
What is the SMILES notation for ethyl 1-(2-cyclopentylacetyl)pyrrolidine-2-carboxylate?
The canonical SMILES for ethyl 1-(2-cyclopentylacetyl)pyrrolidine-2-carboxylate is CCOC(=O)C1CCCN1C(=O)CC1CCCC1.
What is the InChIKey of ethyl 1-(2-cyclopentylacetyl)pyrrolidine-2-carboxylate?
The InChIKey is RICOAUCEUPUBIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO3/c1-2-18-14(17)12-8-5-9-15(12)13(16)10-11-6-3-4-7-11/h11-12H,2-10H2,1H3.
What are the key properties of ethyl 1-(2-cyclopentylacetyl)pyrrolidine-2-carboxylate?
ethyl 1-(2-cyclopentylacetyl)pyrrolidine-2-carboxylate has a molecular weight of 253.34 g/mol, XLogP of 2.12, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-(2-cyclopentylacetyl)pyrrolidine-2-carboxylate is sourced from PubChem (CID 55005769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).