ethyl 4-amino-2-ethylcyclopentane-1-carboxylate;ethyl 2-ethyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]cyclopentane-1-carboxylate

C25H46N2O6 — CID 161055882

IUPACethyl 4-amino-2-ethylcyclopentane-1-carboxylate;ethyl 2-ethyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]cyclopentane-1-carboxylate
SMILESCCOC(=O)C1CC(N)CC1CC.CCOC(=O)C1CC(NC(=O)OC(C)(C)C)CC1CC
InChIInChI=1S/C15H27NO4.C10H19NO2/c1-6-10-8-11(9-12(10)13(17)19-7-2)16-14(18)20-15(3,4)5;1-3-7-5-8(11)6-9(7)10(12)13-4-2/h10-12H,6-9H2,1-5H3,(H,16,18);7-9H,3-6,11H2,1-2H3
InChIKeyUCSXMOOJQMURTN-UHFFFAOYSA-N
MW470.65 g/mol
LogP4.19
Rot. Bonds7

About ethyl 4-amino-2-ethylcyclopentane-1-carboxylate;ethyl 2-ethyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]cyclopentane-1-carboxylate

ethyl 4-amino-2-ethylcyclopentane-1-carboxylate;ethyl 2-ethyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]cyclopentane-1-carboxylate (PubChem CID 161055882) has the molecular formula C25H46N2O6 and a molecular weight of 470.65 g/mol. Its IUPAC name is ethyl 4-amino-2-ethylcyclopentane-1-carboxylate;ethyl 2-ethyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]cyclopentane-1-carboxylate.

Molecular Properties

Compound Nameethyl 4-amino-2-ethylcyclopentane-1-carboxylate;ethyl 2-ethyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]cyclopentane-1-carboxylate
PubChem CID161055882
Molecular FormulaC25H46N2O6
Molecular Weight470.65 g/mol
Exact Mass470.34
IUPAC Nameethyl 4-amino-2-ethylcyclopentane-1-carboxylate;ethyl 2-ethyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]cyclopentane-1-carboxylate
SMILESCCOC(=O)C1CC(N)CC1CC.CCOC(=O)C1CC(NC(=O)OC(C)(C)C)CC1CC
InChIInChI=1S/C15H27NO4.C10H19NO2/c1-6-10-8-11(9-12(10)13(17)19-7-2)16-14(18)20-15(3,4)5;1-3-7-5-8(11)6-9(7)10(12)13-4-2/h10-12H,6-9H2,1-5H3,(H,16,18);7-9H,3-6,11H2,1-2H3
InChIKeyUCSXMOOJQMURTN-UHFFFAOYSA-N
XLogP4.19
TPSA116.95 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500470.65
LogP ≤ 54.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}

Analyze ethyl 4-amino-2-ethylcyclopentane-1-carboxylate;ethyl 2-ethyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]cyclopentane-1-carboxylate with MolForge

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Launch Full Analysis

Related Compounds

ethyl 4-amino-2-ethylcyclopentane-1-carboxylate;ethyl 4-(3,3-dimethylbutanoylamino)-2-ethylcyclopentane-1-carboxylate
CID 160631545
tert-butyl N-[(1S,3R,4S)-3-amino-4-(hydroxymethyl)cyclopentyl]carbamate
CID 154653441
cis-ethyl (1S,2R)-2-[(2-methylpropan-2-yl)oxycarbonylamino]cyclopentane-1-carboxylate
CID 53393786
tert-butyl N-(3-ethyl-4-methylcyclopentyl)carbamate;formic acid
CID 174621376
ethyl (1S,2R,4R,5S)-4,5-dihydroxy-2-[(2-methylpropan-2-yl)oxycarbonylamino]cyclohexane-1-carboxylate
CID 102420535
2-(3-ethoxycarbonyl-4-ethylcyclopentyl)acetic acid;ethyl 2-ethyl-4-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]cyclopentane-1-carboxylate
CID 161488616
tert-butyl 2-ethylcyclopropane-1-carboxylate
CID 58558860
tert-butyl N-[3-(aminomethyl)cyclobutyl]carbamate;hydrochloride
CID 126812095
ethyl 2-[3-[(2-methylpropan-2-yl)oxycarbonylamino]cyclobutyl]oxyacetate
CID 138696066
ethyl (1S,2R,3S,4R)-3,4-diacetyloxy-2-[(2-methylpropan-2-yl)oxycarbonylamino]cyclohexane-1-carboxylate
CID 135018673
ethyl (1S,2R,4S)-2-ethyl-4-(2-hydroxyethyl)cyclopentane-1-carboxylate
CID 86678539
tert-butyl N-[(1S)-3-aminocyclopentyl]carbamate
CID 129185983

Frequently Asked Questions

What is the IUPAC name of ethyl 4-amino-2-ethylcyclopentane-1-carboxylate;ethyl 2-ethyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]cyclopentane-1-carboxylate?
The IUPAC name of ethyl 4-amino-2-ethylcyclopentane-1-carboxylate;ethyl 2-ethyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]cyclopentane-1-carboxylate (CID 161055882) is ethyl 4-amino-2-ethylcyclopentane-1-carboxylate;ethyl 2-ethyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]cyclopentane-1-carboxylate.
What is the SMILES notation for ethyl 4-amino-2-ethylcyclopentane-1-carboxylate;ethyl 2-ethyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]cyclopentane-1-carboxylate?
The canonical SMILES for ethyl 4-amino-2-ethylcyclopentane-1-carboxylate;ethyl 2-ethyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]cyclopentane-1-carboxylate is CCOC(=O)C1CC(N)CC1CC.CCOC(=O)C1CC(NC(=O)OC(C)(C)C)CC1CC.
What is the InChIKey of ethyl 4-amino-2-ethylcyclopentane-1-carboxylate;ethyl 2-ethyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]cyclopentane-1-carboxylate?
The InChIKey is UCSXMOOJQMURTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27NO4.C10H19NO2/c1-6-10-8-11(9-12(10)13(17)19-7-2)16-14(18)20-15(3,4)5;1-3-7-5-8(11)6-9(7)10(12)13-4-2/h10-12H,6-9H2,1-5H3,(H,16,18);7-9H,3-6,11H2,1-2H3.
What are the key properties of ethyl 4-amino-2-ethylcyclopentane-1-carboxylate;ethyl 2-ethyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]cyclopentane-1-carboxylate?
ethyl 4-amino-2-ethylcyclopentane-1-carboxylate;ethyl 2-ethyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]cyclopentane-1-carboxylate has a molecular weight of 470.65 g/mol, XLogP of 4.19, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-amino-2-ethylcyclopentane-1-carboxylate;ethyl 2-ethyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]cyclopentane-1-carboxylate is sourced from PubChem (CID 161055882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).