methyl 3-[2-(methylamino)ethyl]-3-azabicyclo[3.1.0]hexane-6-carboxylate

C10H18N2O2 — CID 115071451

IUPACmethyl 3-[2-(methylamino)ethyl]-3-azabicyclo[3.1.0]hexane-6-carboxylate
SMILESCNCCN1CC2C(C1)C2C(=O)OC
InChIInChI=1S/C10H18N2O2/c1-11-3-4-12-5-7-8(6-12)9(7)10(13)14-2/h7-9,11H,3-6H2,1-2H3
InChIKeyXXQXXWTYNYXWHN-UHFFFAOYSA-N
MW198.27 g/mol
LogP-0.44
Rot. Bonds4

About methyl 3-[2-(methylamino)ethyl]-3-azabicyclo[3.1.0]hexane-6-carboxylate

methyl 3-[2-(methylamino)ethyl]-3-azabicyclo[3.1.0]hexane-6-carboxylate (PubChem CID 115071451) has the molecular formula C10H18N2O2 and a molecular weight of 198.27 g/mol. Its IUPAC name is methyl 3-[2-(methylamino)ethyl]-3-azabicyclo[3.1.0]hexane-6-carboxylate.

Molecular Properties

Compound Namemethyl 3-[2-(methylamino)ethyl]-3-azabicyclo[3.1.0]hexane-6-carboxylate
PubChem CID115071451
Molecular FormulaC10H18N2O2
Molecular Weight198.27 g/mol
Exact Mass198.14
IUPAC Namemethyl 3-[2-(methylamino)ethyl]-3-azabicyclo[3.1.0]hexane-6-carboxylate
SMILESCNCCN1CC2C(C1)C2C(=O)OC
InChIInChI=1S/C10H18N2O2/c1-11-3-4-12-5-7-8(6-12)9(7)10(13)14-2/h7-9,11H,3-6H2,1-2H3
InChIKeyXXQXXWTYNYXWHN-UHFFFAOYSA-N
XLogP-0.44
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.27
LogP ≤ 5-0.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl 3-[2-(methylamino)ethyl]-3-azabicyclo[3.1.0]hexane-6-carboxylate?
The IUPAC name of methyl 3-[2-(methylamino)ethyl]-3-azabicyclo[3.1.0]hexane-6-carboxylate (CID 115071451) is methyl 3-[2-(methylamino)ethyl]-3-azabicyclo[3.1.0]hexane-6-carboxylate.
What is the SMILES notation for methyl 3-[2-(methylamino)ethyl]-3-azabicyclo[3.1.0]hexane-6-carboxylate?
The canonical SMILES for methyl 3-[2-(methylamino)ethyl]-3-azabicyclo[3.1.0]hexane-6-carboxylate is CNCCN1CC2C(C1)C2C(=O)OC.
What is the InChIKey of methyl 3-[2-(methylamino)ethyl]-3-azabicyclo[3.1.0]hexane-6-carboxylate?
The InChIKey is XXQXXWTYNYXWHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2O2/c1-11-3-4-12-5-7-8(6-12)9(7)10(13)14-2/h7-9,11H,3-6H2,1-2H3.
What are the key properties of methyl 3-[2-(methylamino)ethyl]-3-azabicyclo[3.1.0]hexane-6-carboxylate?
methyl 3-[2-(methylamino)ethyl]-3-azabicyclo[3.1.0]hexane-6-carboxylate has a molecular weight of 198.27 g/mol, XLogP of -0.44, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[2-(methylamino)ethyl]-3-azabicyclo[3.1.0]hexane-6-carboxylate is sourced from PubChem (CID 115071451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).