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

C17H30N2O2 — CID 115561544

IUPACethyl 2-[2-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)ethyl]-1-aminocyclopentane-1-carboxylate
SMILESCCOC(=O)C1(N)CCCC1CCN1CC2CCCC2C1
InChIInChI=1S/C17H30N2O2/c1-2-21-16(20)17(18)9-4-7-15(17)8-10-19-11-13-5-3-6-14(13)12-19/h13-15H,2-12,18H2,1H3
InChIKeyCMOOOGOAMVDESP-UHFFFAOYSA-N
MW294.44 g/mol
LogP2.17
Rot. Bonds5

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

ethyl 2-[2-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)ethyl]-1-aminocyclopentane-1-carboxylate (PubChem CID 115561544) has the molecular formula C17H30N2O2 and a molecular weight of 294.44 g/mol. Its IUPAC name is ethyl 2-[2-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)ethyl]-1-aminocyclopentane-1-carboxylate.

Molecular Properties

Compound Nameethyl 2-[2-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)ethyl]-1-aminocyclopentane-1-carboxylate
PubChem CID115561544
Molecular FormulaC17H30N2O2
Molecular Weight294.44 g/mol
Exact Mass294.23
IUPAC Nameethyl 2-[2-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)ethyl]-1-aminocyclopentane-1-carboxylate
SMILESCCOC(=O)C1(N)CCCC1CCN1CC2CCCC2C1
InChIInChI=1S/C17H30N2O2/c1-2-21-16(20)17(18)9-4-7-15(17)8-10-19-11-13-5-3-6-14(13)12-19/h13-15H,2-12,18H2,1H3
InChIKeyCMOOOGOAMVDESP-UHFFFAOYSA-N
XLogP2.17
TPSA55.56 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 ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-[2-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)ethyl]-1-aminocyclopentane-1-carboxylate?
The IUPAC name of ethyl 2-[2-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)ethyl]-1-aminocyclopentane-1-carboxylate (CID 115561544) is ethyl 2-[2-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)ethyl]-1-aminocyclopentane-1-carboxylate.
What is the SMILES notation for ethyl 2-[2-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)ethyl]-1-aminocyclopentane-1-carboxylate?
The canonical SMILES for ethyl 2-[2-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)ethyl]-1-aminocyclopentane-1-carboxylate is CCOC(=O)C1(N)CCCC1CCN1CC2CCCC2C1.
What is the InChIKey of ethyl 2-[2-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)ethyl]-1-aminocyclopentane-1-carboxylate?
The InChIKey is CMOOOGOAMVDESP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30N2O2/c1-2-21-16(20)17(18)9-4-7-15(17)8-10-19-11-13-5-3-6-14(13)12-19/h13-15H,2-12,18H2,1H3.
What are the key properties of ethyl 2-[2-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)ethyl]-1-aminocyclopentane-1-carboxylate?
ethyl 2-[2-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)ethyl]-1-aminocyclopentane-1-carboxylate has a molecular weight of 294.44 g/mol, XLogP of 2.17, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[2-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)ethyl]-1-aminocyclopentane-1-carboxylate is sourced from PubChem (CID 115561544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).