ethyl 1-amino-3-(2-ethylimidazol-1-yl)cyclopentane-1-carboxylate

C13H21N3O2 — CID 79649099

IUPACethyl 1-amino-3-(2-ethylimidazol-1-yl)cyclopentane-1-carboxylate
SMILESCCOC(=O)C1(N)CCC(n2ccnc2CC)C1
InChIInChI=1S/C13H21N3O2/c1-3-11-15-7-8-16(11)10-5-6-13(14,9-10)12(17)18-4-2/h7-8,10H,3-6,9,14H2,1-2H3
InChIKeyQRXYGMOZNLAELS-UHFFFAOYSA-N
MW251.33 g/mol
LogP1.43
Rot. Bonds4

About ethyl 1-amino-3-(2-ethylimidazol-1-yl)cyclopentane-1-carboxylate

ethyl 1-amino-3-(2-ethylimidazol-1-yl)cyclopentane-1-carboxylate (PubChem CID 79649099) has the molecular formula C13H21N3O2 and a molecular weight of 251.33 g/mol. Its IUPAC name is ethyl 1-amino-3-(2-ethylimidazol-1-yl)cyclopentane-1-carboxylate.

Molecular Properties

Compound Nameethyl 1-amino-3-(2-ethylimidazol-1-yl)cyclopentane-1-carboxylate
PubChem CID79649099
Molecular FormulaC13H21N3O2
Molecular Weight251.33 g/mol
Exact Mass251.16
IUPAC Nameethyl 1-amino-3-(2-ethylimidazol-1-yl)cyclopentane-1-carboxylate
SMILESCCOC(=O)C1(N)CCC(n2ccnc2CC)C1
InChIInChI=1S/C13H21N3O2/c1-3-11-15-7-8-16(11)10-5-6-13(14,9-10)12(17)18-4-2/h7-8,10H,3-6,9,14H2,1-2H3
InChIKeyQRXYGMOZNLAELS-UHFFFAOYSA-N
XLogP1.43
TPSA70.14 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 51.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-amino-3-(2-ethylimidazol-1-yl)cyclopentane-1-carboxamide
CID 79648406
ethyl 1-amino-3-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)cyclopentane-1-carboxylate
CID 79650847
methyl 1-amino-3-(2-methylimidazol-1-yl)cyclohexane-1-carboxylate
CID 79641864
(1-aminocyclopropyl)-[3-(2-ethylimidazol-1-yl)piperidin-1-yl]methanone
CID 119881342
ethyl 1-amino-3-(3,5-dimethylpiperidin-1-yl)cyclopentane-1-carboxylate
CID 79650486
ethyl 1-amino-3-(1,3-dihydroisoindol-2-yl)cyclopentane-1-carboxylate
CID 79650764
1-(ethylamino)-3-(2-ethylimidazol-1-yl)cyclohexane-1-carboxylic acid
CID 79637528
1-amino-3-(2-propan-2-ylimidazol-1-yl)cyclopentane-1-carboxylic acid
CID 79650812
ethyl 1-amino-3-(2-methylbenzimidazol-1-yl)cyclopentane-1-carboxylate
CID 79645933
ethyl 1-amino-3-(4-ethoxypiperidin-1-yl)cyclopentane-1-carboxylate
CID 79654989
3-(2-ethylimidazol-1-yl)-1-(methylamino)cyclopentane-1-carbonitrile
CID 79639003
ethyl 1-amino-3-(4-tert-butylpiperidin-1-yl)cyclopentane-1-carboxylate
CID 79647883

Frequently Asked Questions

What is the IUPAC name of ethyl 1-amino-3-(2-ethylimidazol-1-yl)cyclopentane-1-carboxylate?
The IUPAC name of ethyl 1-amino-3-(2-ethylimidazol-1-yl)cyclopentane-1-carboxylate (CID 79649099) is ethyl 1-amino-3-(2-ethylimidazol-1-yl)cyclopentane-1-carboxylate.
What is the SMILES notation for ethyl 1-amino-3-(2-ethylimidazol-1-yl)cyclopentane-1-carboxylate?
The canonical SMILES for ethyl 1-amino-3-(2-ethylimidazol-1-yl)cyclopentane-1-carboxylate is CCOC(=O)C1(N)CCC(n2ccnc2CC)C1.
What is the InChIKey of ethyl 1-amino-3-(2-ethylimidazol-1-yl)cyclopentane-1-carboxylate?
The InChIKey is QRXYGMOZNLAELS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O2/c1-3-11-15-7-8-16(11)10-5-6-13(14,9-10)12(17)18-4-2/h7-8,10H,3-6,9,14H2,1-2H3.
What are the key properties of ethyl 1-amino-3-(2-ethylimidazol-1-yl)cyclopentane-1-carboxylate?
ethyl 1-amino-3-(2-ethylimidazol-1-yl)cyclopentane-1-carboxylate has a molecular weight of 251.33 g/mol, XLogP of 1.43, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-amino-3-(2-ethylimidazol-1-yl)cyclopentane-1-carboxylate is sourced from PubChem (CID 79649099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).