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

C9H16N2O2 — CID 115071449

IUPACmethyl 3-(2-aminoethyl)-3-azabicyclo[3.1.0]hexane-6-carboxylate
SMILESCOC(=O)C1C2CN(CCN)CC21
InChIInChI=1S/C9H16N2O2/c1-13-9(12)8-6-4-11(3-2-10)5-7(6)8/h6-8H,2-5,10H2,1H3
InChIKeyZXGLZBMUDIDZKY-UHFFFAOYSA-N
MW184.24 g/mol
LogP-0.70
Rot. Bonds3

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

methyl 3-(2-aminoethyl)-3-azabicyclo[3.1.0]hexane-6-carboxylate (PubChem CID 115071449) has the molecular formula C9H16N2O2 and a molecular weight of 184.24 g/mol. Its IUPAC name is methyl 3-(2-aminoethyl)-3-azabicyclo[3.1.0]hexane-6-carboxylate.

Molecular Properties

Compound Namemethyl 3-(2-aminoethyl)-3-azabicyclo[3.1.0]hexane-6-carboxylate
PubChem CID115071449
Molecular FormulaC9H16N2O2
Molecular Weight184.24 g/mol
Exact Mass184.12
IUPAC Namemethyl 3-(2-aminoethyl)-3-azabicyclo[3.1.0]hexane-6-carboxylate
SMILESCOC(=O)C1C2CN(CCN)CC21
InChIInChI=1S/C9H16N2O2/c1-13-9(12)8-6-4-11(3-2-10)5-7(6)8/h6-8H,2-5,10H2,1H3
InChIKeyZXGLZBMUDIDZKY-UHFFFAOYSA-N
XLogP-0.70
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.24
LogP ≤ 5-0.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 3-[2-(methylamino)ethyl]-3-azabicyclo[3.1.0]hexane-6-carboxylate
CID 115071451
methyl 3-[3-(methylamino)propyl]-3-azabicyclo[3.1.0]hexane-6-carboxylate
CID 115071461
methyl 1-(2-aminoethyl)-5-(methylamino)piperidine-3-carboxylate
CID 83990119
diethyl (3R,4S)-1-(2-aminoethyl)pyrrolidine-3,4-dicarboxylate
CID 59451023
methyl 1-(2-aminoethyl)-5-(2-methylpropylamino)piperidine-3-carboxylate
CID 83994797
methyl 7-(2-aminoethyl)-5-ethyl-2-oxa-7-azaspiro[3.5]nonane-9-carboxylate
CID 83959957
ethyl 3-(2,2,2-trifluoroethyl)-3-azabicyclo[3.1.0]hexane-6-carboxylate
CID 134820996
1-(2-aminoethyl)-5-(methoxycarbonylamino)piperidine-3-carboxylic acid
CID 112543589
methyl bicyclo[4.1.0]heptane-7-carboxylate
CID 534051
dimethyl (1R,3S,5R,7R)-pentacyclo[5.4.1.03,10.05,9.08,11]dodecane-2,6-dicarboxylate
CID 99959650
methyl N-[1-(2-aminoethyl)-5-ethylpiperidin-3-yl]carbamate
CID 112543582
1-(2-aminoethyl)pyrrolidine-3,4-diol
CID 72789543

Frequently Asked Questions

What is the IUPAC name of methyl 3-(2-aminoethyl)-3-azabicyclo[3.1.0]hexane-6-carboxylate?
The IUPAC name of methyl 3-(2-aminoethyl)-3-azabicyclo[3.1.0]hexane-6-carboxylate (CID 115071449) is methyl 3-(2-aminoethyl)-3-azabicyclo[3.1.0]hexane-6-carboxylate.
What is the SMILES notation for methyl 3-(2-aminoethyl)-3-azabicyclo[3.1.0]hexane-6-carboxylate?
The canonical SMILES for methyl 3-(2-aminoethyl)-3-azabicyclo[3.1.0]hexane-6-carboxylate is COC(=O)C1C2CN(CCN)CC21.
What is the InChIKey of methyl 3-(2-aminoethyl)-3-azabicyclo[3.1.0]hexane-6-carboxylate?
The InChIKey is ZXGLZBMUDIDZKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2O2/c1-13-9(12)8-6-4-11(3-2-10)5-7(6)8/h6-8H,2-5,10H2,1H3.
What are the key properties of methyl 3-(2-aminoethyl)-3-azabicyclo[3.1.0]hexane-6-carboxylate?
methyl 3-(2-aminoethyl)-3-azabicyclo[3.1.0]hexane-6-carboxylate has a molecular weight of 184.24 g/mol, XLogP of -0.70, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-(2-aminoethyl)-3-azabicyclo[3.1.0]hexane-6-carboxylate is sourced from PubChem (CID 115071449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).