ethyl (2S)-1-(2-ethoxycarbonylcyclopenten-1-yl)pyrrolidine-2-carboxylate

C15H23NO4 — CID 11673573

IUPACethyl (2S)-1-(2-ethoxycarbonylcyclopenten-1-yl)pyrrolidine-2-carboxylate
SMILESCCOC(=O)C1=C(N2CCC[C@H]2C(=O)OCC)CCC1
InChIInChI=1S/C15H23NO4/c1-3-19-14(17)11-7-5-8-12(11)16-10-6-9-13(16)15(18)20-4-2/h13H,3-10H2,1-2H3/t13-/m0/s1
InChIKeyAMLLRFHIRATPLY-ZDUSSCGKSA-N
MW281.35 g/mol
LogP2.02
Rot. Bonds5

About ethyl (2S)-1-(2-ethoxycarbonylcyclopenten-1-yl)pyrrolidine-2-carboxylate

ethyl (2S)-1-(2-ethoxycarbonylcyclopenten-1-yl)pyrrolidine-2-carboxylate (PubChem CID 11673573) has the molecular formula C15H23NO4 and a molecular weight of 281.35 g/mol. Its IUPAC name is ethyl (2S)-1-(2-ethoxycarbonylcyclopenten-1-yl)pyrrolidine-2-carboxylate.

Molecular Properties

Compound Nameethyl (2S)-1-(2-ethoxycarbonylcyclopenten-1-yl)pyrrolidine-2-carboxylate
PubChem CID11673573
Molecular FormulaC15H23NO4
Molecular Weight281.35 g/mol
Exact Mass281.16
IUPAC Nameethyl (2S)-1-(2-ethoxycarbonylcyclopenten-1-yl)pyrrolidine-2-carboxylate
SMILESCCOC(=O)C1=C(N2CCC[C@H]2C(=O)OCC)CCC1
InChIInChI=1S/C15H23NO4/c1-3-19-14(17)11-7-5-8-12(11)16-10-6-9-13(16)15(18)20-4-2/h13H,3-10H2,1-2H3/t13-/m0/s1
InChIKeyAMLLRFHIRATPLY-ZDUSSCGKSA-N
XLogP2.02
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.35
LogP ≤ 52.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 1-(5,6-diethyl-1,2,4-triazin-3-yl)pyrrolidine-2-carboxylate
CID 114985351
ethyl (2S)-1-[(E)-3-ethoxy-3-oxoprop-1-enyl]pyrrolidine-2-carboxylate
CID 121013040
ethyl 1-(4-sulfamoylphenyl)pyrrolidine-2-carboxylate
CID 62006690
ethyl 1-(3-ethyl-1,2,4-thiadiazol-5-yl)pyrrolidine-2-carboxylate
CID 65274919
ethyl 1-(4-aminophenyl)piperidine-2-carboxylate
CID 21070762
ethyl 1-(5,6-diethyl-1,2,4-triazin-3-yl)piperidine-2-carboxylate
CID 105363274
ethyl 1-(2-carbamothioylphenyl)pyrrolidine-2-carboxylate
CID 55006616
ethyl 1-formylpyrrolidine-2-carboxylate
CID 18469486
ethyl (5S,8aR)-1,2,3,5,6,7,8,8a-octahydroindolizine-5-carboxylate
CID 10965477
ethyl 1-propanoylpyrrolidine-2-carboxylate
CID 11845503
ethyl 1-(3-methyl-4-pyridinyl)piperidine-2-carboxylate
CID 113331444
ethyl 1-(3-amino-5-methyl-2-pyridinyl)pyrrolidine-2-carboxylate
CID 114051037

Frequently Asked Questions

What is the IUPAC name of ethyl (2S)-1-(2-ethoxycarbonylcyclopenten-1-yl)pyrrolidine-2-carboxylate?
The IUPAC name of ethyl (2S)-1-(2-ethoxycarbonylcyclopenten-1-yl)pyrrolidine-2-carboxylate (CID 11673573) is ethyl (2S)-1-(2-ethoxycarbonylcyclopenten-1-yl)pyrrolidine-2-carboxylate.
What is the SMILES notation for ethyl (2S)-1-(2-ethoxycarbonylcyclopenten-1-yl)pyrrolidine-2-carboxylate?
The canonical SMILES for ethyl (2S)-1-(2-ethoxycarbonylcyclopenten-1-yl)pyrrolidine-2-carboxylate is CCOC(=O)C1=C(N2CCC[C@H]2C(=O)OCC)CCC1.
What is the InChIKey of ethyl (2S)-1-(2-ethoxycarbonylcyclopenten-1-yl)pyrrolidine-2-carboxylate?
The InChIKey is AMLLRFHIRATPLY-ZDUSSCGKSA-N. The full InChI is InChI=1S/C15H23NO4/c1-3-19-14(17)11-7-5-8-12(11)16-10-6-9-13(16)15(18)20-4-2/h13H,3-10H2,1-2H3/t13-/m0/s1.
What are the key properties of ethyl (2S)-1-(2-ethoxycarbonylcyclopenten-1-yl)pyrrolidine-2-carboxylate?
ethyl (2S)-1-(2-ethoxycarbonylcyclopenten-1-yl)pyrrolidine-2-carboxylate has a molecular weight of 281.35 g/mol, XLogP of 2.02, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (2S)-1-(2-ethoxycarbonylcyclopenten-1-yl)pyrrolidine-2-carboxylate is sourced from PubChem (CID 11673573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).