ethyl 3-(2-azabicyclo[2.2.1]heptan-2-yl)-1-(cyclopropylamino)cyclopentane-1-carboxylate

C17H28N2O2 — CID 79646922

IUPACethyl 3-(2-azabicyclo[2.2.1]heptan-2-yl)-1-(cyclopropylamino)cyclopentane-1-carboxylate
SMILESCCOC(=O)C1(NC2CC2)CCC(N2CC3CCC2C3)C1
InChIInChI=1S/C17H28N2O2/c1-2-21-16(20)17(18-13-4-5-13)8-7-15(10-17)19-11-12-3-6-14(19)9-12/h12-15,18H,2-11H2,1H3
InChIKeyWASISXDMLPEQBD-UHFFFAOYSA-N
MW292.42 g/mol
LogP2.08
Rot. Bonds5

About ethyl 3-(2-azabicyclo[2.2.1]heptan-2-yl)-1-(cyclopropylamino)cyclopentane-1-carboxylate

ethyl 3-(2-azabicyclo[2.2.1]heptan-2-yl)-1-(cyclopropylamino)cyclopentane-1-carboxylate (PubChem CID 79646922) has the molecular formula C17H28N2O2 and a molecular weight of 292.42 g/mol. Its IUPAC name is ethyl 3-(2-azabicyclo[2.2.1]heptan-2-yl)-1-(cyclopropylamino)cyclopentane-1-carboxylate.

Molecular Properties

Compound Nameethyl 3-(2-azabicyclo[2.2.1]heptan-2-yl)-1-(cyclopropylamino)cyclopentane-1-carboxylate
PubChem CID79646922
Molecular FormulaC17H28N2O2
Molecular Weight292.42 g/mol
Exact Mass292.22
IUPAC Nameethyl 3-(2-azabicyclo[2.2.1]heptan-2-yl)-1-(cyclopropylamino)cyclopentane-1-carboxylate
SMILESCCOC(=O)C1(NC2CC2)CCC(N2CC3CCC2C3)C1
InChIInChI=1S/C17H28N2O2/c1-2-21-16(20)17(18-13-4-5-13)8-7-15(10-17)19-11-12-3-6-14(19)9-12/h12-15,18H,2-11H2,1H3
InChIKeyWASISXDMLPEQBD-UHFFFAOYSA-N
XLogP2.08
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.42
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze ethyl 3-(2-azabicyclo[2.2.1]heptan-2-yl)-1-(cyclopropylamino)cyclopentane-1-carboxylate with MolForge

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Related Compounds

ethyl 1-(cyclopropylamino)-3-(2-methylpiperidin-1-yl)cyclopentane-1-carboxylate
CID 79645150
ethyl 1-(cyclopropylamino)-3-(4-methylpiperidin-1-yl)cyclopentane-1-carboxylate
CID 79645147
ethyl 1-(cyclopropylamino)-3-morpholin-4-ylcyclopentane-1-carboxylate
CID 79650253
ethyl 1-(cyclopropylamino)-3-(3-methylpyrazol-1-yl)cyclopentane-1-carboxylate
CID 79648415
ethyl 1-(cyclopropylamino)-3-pentoxycyclopentane-1-carboxylate
CID 79648395
ethyl 1-(cyclohexylamino)-3-ethylcyclopentane-1-carboxylate
CID 64514272
ethyl 1-(cyclopentylamino)cyclobutane-1-carboxylate
CID 62389815
ethyl 3-(cyclopentylmethylsulfanyl)-1-(cyclopropylamino)cyclopentane-1-carboxylate
CID 79646486
methyl 1-(cyclopropylamino)-3-(2,4-dimethylpiperidin-1-yl)cyclopentane-1-carboxylate
CID 79647908
ethyl 3-(2-methylpyrrolidin-1-yl)-1-(propylamino)cyclopentane-1-carboxylate
CID 79649919
1-amino-3-(2-azabicyclo[2.2.1]heptan-2-yl)cyclopentane-1-carboxylic acid
CID 79654790
ethyl 1-(methylamino)-3-pyrrolidin-1-ylcyclopentane-1-carboxylate
CID 79649541

Frequently Asked Questions

What is the IUPAC name of ethyl 3-(2-azabicyclo[2.2.1]heptan-2-yl)-1-(cyclopropylamino)cyclopentane-1-carboxylate?
The IUPAC name of ethyl 3-(2-azabicyclo[2.2.1]heptan-2-yl)-1-(cyclopropylamino)cyclopentane-1-carboxylate (CID 79646922) is ethyl 3-(2-azabicyclo[2.2.1]heptan-2-yl)-1-(cyclopropylamino)cyclopentane-1-carboxylate.
What is the SMILES notation for ethyl 3-(2-azabicyclo[2.2.1]heptan-2-yl)-1-(cyclopropylamino)cyclopentane-1-carboxylate?
The canonical SMILES for ethyl 3-(2-azabicyclo[2.2.1]heptan-2-yl)-1-(cyclopropylamino)cyclopentane-1-carboxylate is CCOC(=O)C1(NC2CC2)CCC(N2CC3CCC2C3)C1.
What is the InChIKey of ethyl 3-(2-azabicyclo[2.2.1]heptan-2-yl)-1-(cyclopropylamino)cyclopentane-1-carboxylate?
The InChIKey is WASISXDMLPEQBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2O2/c1-2-21-16(20)17(18-13-4-5-13)8-7-15(10-17)19-11-12-3-6-14(19)9-12/h12-15,18H,2-11H2,1H3.
What are the key properties of ethyl 3-(2-azabicyclo[2.2.1]heptan-2-yl)-1-(cyclopropylamino)cyclopentane-1-carboxylate?
ethyl 3-(2-azabicyclo[2.2.1]heptan-2-yl)-1-(cyclopropylamino)cyclopentane-1-carboxylate has a molecular weight of 292.42 g/mol, XLogP of 2.08, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-(2-azabicyclo[2.2.1]heptan-2-yl)-1-(cyclopropylamino)cyclopentane-1-carboxylate is sourced from PubChem (CID 79646922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).