ethyl 1-amino-2-[2-(2-methylbutylsulfanyl)ethyl]cyclopentane-1-carboxylate

C15H29NO2S — CID 107755933

IUPACethyl 1-amino-2-[2-(2-methylbutylsulfanyl)ethyl]cyclopentane-1-carboxylate
SMILESCCOC(=O)C1(N)CCCC1CCSCC(C)CC
InChIInChI=1S/C15H29NO2S/c1-4-12(3)11-19-10-8-13-7-6-9-15(13,16)14(17)18-5-2/h12-13H,4-11,16H2,1-3H3
InChIKeyHGSHEORKFDOZIM-UHFFFAOYSA-N
MW287.47 g/mol
LogP3.22
Rot. Bonds8

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

ethyl 1-amino-2-[2-(2-methylbutylsulfanyl)ethyl]cyclopentane-1-carboxylate (PubChem CID 107755933) has the molecular formula C15H29NO2S and a molecular weight of 287.47 g/mol. Its IUPAC name is ethyl 1-amino-2-[2-(2-methylbutylsulfanyl)ethyl]cyclopentane-1-carboxylate.

Molecular Properties

Compound Nameethyl 1-amino-2-[2-(2-methylbutylsulfanyl)ethyl]cyclopentane-1-carboxylate
PubChem CID107755933
Molecular FormulaC15H29NO2S
Molecular Weight287.47 g/mol
Exact Mass287.19
IUPAC Nameethyl 1-amino-2-[2-(2-methylbutylsulfanyl)ethyl]cyclopentane-1-carboxylate
SMILESCCOC(=O)C1(N)CCCC1CCSCC(C)CC
InChIInChI=1S/C15H29NO2S/c1-4-12(3)11-19-10-8-13-7-6-9-15(13,16)14(17)18-5-2/h12-13H,4-11,16H2,1-3H3
InChIKeyHGSHEORKFDOZIM-UHFFFAOYSA-N
XLogP3.22
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.47
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

ethyl 1-amino-2-(2-butylsulfanylethyl)cyclopentane-1-carboxylate
CID 79586523
ethyl 1-amino-2-[2-(2-ethoxyethoxy)ethyl]cyclopentane-1-carboxylate
CID 79581836
ethyl 1-amino-2-[2-[2-methoxyethyl(propan-2-yl)amino]ethyl]cyclopentane-1-carboxylate
CID 82941282
ethyl 1-amino-2-(3-methoxypropyl)cyclohexane-1-carboxylate
CID 67920795
ethyl 2-[2-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)ethyl]-1-aminocyclopentane-1-carboxylate
CID 115561544
ethyl 1-amino-2-[2-[2,2-dimethylpropyl(methyl)amino]ethyl]cyclopentane-1-carboxylate
CID 79564538
ethyl 1-amino-2-[2-(3,5-dimethyl-1,2,4-triazol-1-yl)ethyl]cyclopentane-1-carboxylate
CID 79571488
ethyl 1-amino-2-[2-[(3-chloro-2-pyridinyl)sulfanyl]ethyl]cyclopentane-1-carboxylate
CID 79557657
1-amino-2-(2-butylsulfanylethyl)cyclopentane-1-carboxamide
CID 79587862
methyl 1-amino-2-[2-[(4-chlorophenyl)methylsulfanyl]ethyl]cyclopentane-1-carboxylate
CID 114791644
methyl 1-(cyclopropylamino)-2-[2-(3-hydroxy-2-methylpropyl)sulfanylethyl]cyclopentane-1-carboxylate
CID 79555486
ethyl 1-amino-2-[2-(2-ethylpiperidin-1-yl)ethyl]cyclopentane-1-carboxylate
CID 79577754

Frequently Asked Questions

What is the IUPAC name of ethyl 1-amino-2-[2-(2-methylbutylsulfanyl)ethyl]cyclopentane-1-carboxylate?
The IUPAC name of ethyl 1-amino-2-[2-(2-methylbutylsulfanyl)ethyl]cyclopentane-1-carboxylate (CID 107755933) is ethyl 1-amino-2-[2-(2-methylbutylsulfanyl)ethyl]cyclopentane-1-carboxylate.
What is the SMILES notation for ethyl 1-amino-2-[2-(2-methylbutylsulfanyl)ethyl]cyclopentane-1-carboxylate?
The canonical SMILES for ethyl 1-amino-2-[2-(2-methylbutylsulfanyl)ethyl]cyclopentane-1-carboxylate is CCOC(=O)C1(N)CCCC1CCSCC(C)CC.
What is the InChIKey of ethyl 1-amino-2-[2-(2-methylbutylsulfanyl)ethyl]cyclopentane-1-carboxylate?
The InChIKey is HGSHEORKFDOZIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29NO2S/c1-4-12(3)11-19-10-8-13-7-6-9-15(13,16)14(17)18-5-2/h12-13H,4-11,16H2,1-3H3.
What are the key properties of ethyl 1-amino-2-[2-(2-methylbutylsulfanyl)ethyl]cyclopentane-1-carboxylate?
ethyl 1-amino-2-[2-(2-methylbutylsulfanyl)ethyl]cyclopentane-1-carboxylate has a molecular weight of 287.47 g/mol, XLogP of 3.22, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-amino-2-[2-(2-methylbutylsulfanyl)ethyl]cyclopentane-1-carboxylate is sourced from PubChem (CID 107755933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).