ethyl 3-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-1-(ethylamino)cyclopentane-1-carboxylate

C17H30N2O2 — CID 115561553

IUPACethyl 3-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-1-(ethylamino)cyclopentane-1-carboxylate
SMILESCCNC1(C(=O)OCC)CCC(N2CC3CCCC3C2)C1
InChIInChI=1S/C17H30N2O2/c1-3-18-17(16(20)21-4-2)9-8-15(10-17)19-11-13-6-5-7-14(13)12-19/h13-15,18H,3-12H2,1-2H3
InChIKeyAJOUHNCSDCMLKX-UHFFFAOYSA-N
MW294.44 g/mol
LogP2.18
Rot. Bonds5

About ethyl 3-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-1-(ethylamino)cyclopentane-1-carboxylate

ethyl 3-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-1-(ethylamino)cyclopentane-1-carboxylate (PubChem CID 115561553) has the molecular formula C17H30N2O2 and a molecular weight of 294.44 g/mol. Its IUPAC name is ethyl 3-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-1-(ethylamino)cyclopentane-1-carboxylate.

Molecular Properties

Compound Nameethyl 3-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-1-(ethylamino)cyclopentane-1-carboxylate
PubChem CID115561553
Molecular FormulaC17H30N2O2
Molecular Weight294.44 g/mol
Exact Mass294.23
IUPAC Nameethyl 3-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-1-(ethylamino)cyclopentane-1-carboxylate
SMILESCCNC1(C(=O)OCC)CCC(N2CC3CCCC3C2)C1
InChIInChI=1S/C17H30N2O2/c1-3-18-17(16(20)21-4-2)9-8-15(10-17)19-11-13-6-5-7-14(13)12-19/h13-15,18H,3-12H2,1-2H3
InChIKeyAJOUHNCSDCMLKX-UHFFFAOYSA-N
XLogP2.18
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.44
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze ethyl 3-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-1-(ethylamino)cyclopentane-1-carboxylate with MolForge

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Related Compounds

methyl 3-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-1-(ethylamino)cyclohexane-1-carboxylate
CID 115561475
ethyl 1-(methylamino)-3-pyrrolidin-1-ylcyclopentane-1-carboxylate
CID 79649541
ethyl 1-(ethylamino)-3-methylsulfanylcyclopentane-1-carboxylate
CID 79653865
ethyl 3-(4-chloro-3,5-dimethylpyrazol-1-yl)-1-(ethylamino)cyclopentane-1-carboxylate
CID 79646189
ethyl 1-(ethylamino)-3-(3-ethylmorpholin-4-yl)cyclopentane-1-carboxylate
CID 79645896
ethyl 1-(ethylamino)-3-methylsulfanylcyclohexane-1-carboxylate
CID 79634825
3-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-1-(propan-2-ylamino)cyclopentane-1-carboxylic acid
CID 115561603
methyl 1-(ethylamino)-3-(4-propan-2-ylpiperidin-1-yl)cyclopentane-1-carboxylate
CID 103502038
ethyl 3-piperidin-1-yl-1-(propylamino)cyclohexane-1-carboxylate
CID 79628675
ethyl 3-(2-methylpyrrolidin-1-yl)-1-(propylamino)cyclopentane-1-carboxylate
CID 79649919
ethyl 1-(ethylamino)-3-[methyl(propan-2-yl)amino]cyclopentane-1-carboxylate
CID 79650420
ethyl 1-(ethylamino)-3-[methyl(2-methylbutan-2-yl)amino]cyclohexane-1-carboxylate
CID 79633705

Frequently Asked Questions

What is the IUPAC name of ethyl 3-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-1-(ethylamino)cyclopentane-1-carboxylate?
The IUPAC name of ethyl 3-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-1-(ethylamino)cyclopentane-1-carboxylate (CID 115561553) is ethyl 3-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-1-(ethylamino)cyclopentane-1-carboxylate.
What is the SMILES notation for ethyl 3-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-1-(ethylamino)cyclopentane-1-carboxylate?
The canonical SMILES for ethyl 3-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-1-(ethylamino)cyclopentane-1-carboxylate is CCNC1(C(=O)OCC)CCC(N2CC3CCCC3C2)C1.
What is the InChIKey of ethyl 3-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-1-(ethylamino)cyclopentane-1-carboxylate?
The InChIKey is AJOUHNCSDCMLKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30N2O2/c1-3-18-17(16(20)21-4-2)9-8-15(10-17)19-11-13-6-5-7-14(13)12-19/h13-15,18H,3-12H2,1-2H3.
What are the key properties of ethyl 3-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-1-(ethylamino)cyclopentane-1-carboxylate?
ethyl 3-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-1-(ethylamino)cyclopentane-1-carboxylate has a molecular weight of 294.44 g/mol, XLogP of 2.18, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-1-(ethylamino)cyclopentane-1-carboxylate is sourced from PubChem (CID 115561553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).