ethyl 1-amino-2-[2-(furan-2-ylmethylsulfanyl)ethyl]cyclopentane-1-carboxylate

C15H23NO3S — CID 79588328

IUPACethyl 1-amino-2-[2-(furan-2-ylmethylsulfanyl)ethyl]cyclopentane-1-carboxylate
SMILESCCOC(=O)C1(N)CCCC1CCSCc1ccco1
InChIInChI=1S/C15H23NO3S/c1-2-18-14(17)15(16)8-3-5-12(15)7-10-20-11-13-6-4-9-19-13/h4,6,9,12H,2-3,5,7-8,10-11,16H2,1H3
InChIKeyQXCHQFPAOQJJBO-UHFFFAOYSA-N
MW297.42 g/mol
LogP2.96
Rot. Bonds7

About ethyl 1-amino-2-[2-(furan-2-ylmethylsulfanyl)ethyl]cyclopentane-1-carboxylate

ethyl 1-amino-2-[2-(furan-2-ylmethylsulfanyl)ethyl]cyclopentane-1-carboxylate (PubChem CID 79588328) has the molecular formula C15H23NO3S and a molecular weight of 297.42 g/mol. Its IUPAC name is ethyl 1-amino-2-[2-(furan-2-ylmethylsulfanyl)ethyl]cyclopentane-1-carboxylate.

Molecular Properties

Compound Nameethyl 1-amino-2-[2-(furan-2-ylmethylsulfanyl)ethyl]cyclopentane-1-carboxylate
PubChem CID79588328
Molecular FormulaC15H23NO3S
Molecular Weight297.42 g/mol
Exact Mass297.14
IUPAC Nameethyl 1-amino-2-[2-(furan-2-ylmethylsulfanyl)ethyl]cyclopentane-1-carboxylate
SMILESCCOC(=O)C1(N)CCCC1CCSCc1ccco1
InChIInChI=1S/C15H23NO3S/c1-2-18-14(17)15(16)8-3-5-12(15)7-10-20-11-13-6-4-9-19-13/h4,6,9,12H,2-3,5,7-8,10-11,16H2,1H3
InChIKeyQXCHQFPAOQJJBO-UHFFFAOYSA-N
XLogP2.96
TPSA65.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.42
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of ethyl 1-amino-2-[2-(furan-2-ylmethylsulfanyl)ethyl]cyclopentane-1-carboxylate?
The IUPAC name of ethyl 1-amino-2-[2-(furan-2-ylmethylsulfanyl)ethyl]cyclopentane-1-carboxylate (CID 79588328) is ethyl 1-amino-2-[2-(furan-2-ylmethylsulfanyl)ethyl]cyclopentane-1-carboxylate.
What is the SMILES notation for ethyl 1-amino-2-[2-(furan-2-ylmethylsulfanyl)ethyl]cyclopentane-1-carboxylate?
The canonical SMILES for ethyl 1-amino-2-[2-(furan-2-ylmethylsulfanyl)ethyl]cyclopentane-1-carboxylate is CCOC(=O)C1(N)CCCC1CCSCc1ccco1.
What is the InChIKey of ethyl 1-amino-2-[2-(furan-2-ylmethylsulfanyl)ethyl]cyclopentane-1-carboxylate?
The InChIKey is QXCHQFPAOQJJBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO3S/c1-2-18-14(17)15(16)8-3-5-12(15)7-10-20-11-13-6-4-9-19-13/h4,6,9,12H,2-3,5,7-8,10-11,16H2,1H3.
What are the key properties of ethyl 1-amino-2-[2-(furan-2-ylmethylsulfanyl)ethyl]cyclopentane-1-carboxylate?
ethyl 1-amino-2-[2-(furan-2-ylmethylsulfanyl)ethyl]cyclopentane-1-carboxylate has a molecular weight of 297.42 g/mol, XLogP of 2.96, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-amino-2-[2-(furan-2-ylmethylsulfanyl)ethyl]cyclopentane-1-carboxylate is sourced from PubChem (CID 79588328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).