methyl 1-(ethylamino)-2,3,5,6,7,8-hexahydropyrrolizine-1-carboxylate

C11H20N2O2 — CID 82857076

IUPACmethyl 1-(ethylamino)-2,3,5,6,7,8-hexahydropyrrolizine-1-carboxylate
SMILESCCNC1(C(=O)OC)CCN2CCCC21
InChIInChI=1S/C11H20N2O2/c1-3-12-11(10(14)15-2)6-8-13-7-4-5-9(11)13/h9,12H,3-8H2,1-2H3
InChIKeyDVERFZBPFMOJBL-UHFFFAOYSA-N
MW212.29 g/mol
LogP0.38
Rot. Bonds3

About methyl 1-(ethylamino)-2,3,5,6,7,8-hexahydropyrrolizine-1-carboxylate

methyl 1-(ethylamino)-2,3,5,6,7,8-hexahydropyrrolizine-1-carboxylate (PubChem CID 82857076) has the molecular formula C11H20N2O2 and a molecular weight of 212.29 g/mol. Its IUPAC name is methyl 1-(ethylamino)-2,3,5,6,7,8-hexahydropyrrolizine-1-carboxylate.

Molecular Properties

Compound Namemethyl 1-(ethylamino)-2,3,5,6,7,8-hexahydropyrrolizine-1-carboxylate
PubChem CID82857076
Molecular FormulaC11H20N2O2
Molecular Weight212.29 g/mol
Exact Mass212.15
IUPAC Namemethyl 1-(ethylamino)-2,3,5,6,7,8-hexahydropyrrolizine-1-carboxylate
SMILESCCNC1(C(=O)OC)CCN2CCCC21
InChIInChI=1S/C11H20N2O2/c1-3-12-11(10(14)15-2)6-8-13-7-4-5-9(11)13/h9,12H,3-8H2,1-2H3
InChIKeyDVERFZBPFMOJBL-UHFFFAOYSA-N
XLogP0.38
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.29
LogP ≤ 50.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze methyl 1-(ethylamino)-2,3,5,6,7,8-hexahydropyrrolizine-1-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of methyl 1-(ethylamino)-2,3,5,6,7,8-hexahydropyrrolizine-1-carboxylate?
The IUPAC name of methyl 1-(ethylamino)-2,3,5,6,7,8-hexahydropyrrolizine-1-carboxylate (CID 82857076) is methyl 1-(ethylamino)-2,3,5,6,7,8-hexahydropyrrolizine-1-carboxylate.
What is the SMILES notation for methyl 1-(ethylamino)-2,3,5,6,7,8-hexahydropyrrolizine-1-carboxylate?
The canonical SMILES for methyl 1-(ethylamino)-2,3,5,6,7,8-hexahydropyrrolizine-1-carboxylate is CCNC1(C(=O)OC)CCN2CCCC21.
What is the InChIKey of methyl 1-(ethylamino)-2,3,5,6,7,8-hexahydropyrrolizine-1-carboxylate?
The InChIKey is DVERFZBPFMOJBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O2/c1-3-12-11(10(14)15-2)6-8-13-7-4-5-9(11)13/h9,12H,3-8H2,1-2H3.
What are the key properties of methyl 1-(ethylamino)-2,3,5,6,7,8-hexahydropyrrolizine-1-carboxylate?
methyl 1-(ethylamino)-2,3,5,6,7,8-hexahydropyrrolizine-1-carboxylate has a molecular weight of 212.29 g/mol, XLogP of 0.38, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-(ethylamino)-2,3,5,6,7,8-hexahydropyrrolizine-1-carboxylate is sourced from PubChem (CID 82857076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).