Name: Name:3-Azabicyclo[3.1.0]hexane-3,6-dicarboxylic acid 3-tert-butyl ester
Brand: Angene
SKU: AG008Z3D
Rating: 90 (10 reviews)

3-Azabicyclo[3.1.0]hexane-3,6-dicarboxylic acid 3-tert-butyl ester

CAS No.:

1119512-39-8

Catalog Number:

AG008Z3D

Molecular Formula:

C11H17NO4

Molecular Weight:

227.2570

Catalog Number:

AG008Z3D

Chemical Name:

3-Azabicyclo[3.1.0]hexane-3,6-dicarboxylic acid 3-tert-butyl ester

CAS Number:

1119512-39-8

Molecular Formula:

C11H17NO4

Molecular Weight:

227.2570

MDL Number:

MFCD11109556

IUPAC Name:

3-[(2-methylpropan-2-yl)oxycarbonyl]-3-azabicyclo[3.1.0]hexane-6-carboxylic acid

InChI:

InChI=1S/C11H17NO4/c1-11(2,3)16-10(15)12-4-6-7(5-12)8(6)9(13)14/h6-8H,4-5H2,1-3H3,(H,13,14)

InChI Key:

GYEQQDCMLKKYGG-UHFFFAOYSA-N

SMILES:

O=C(N1CC2C(C1)C2C(=O)O)OC(C)(C)C

Complexity:

321

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

227.116g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

227.26g/mol

Monoisotopic Mass:

227.116g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

66.8A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

0.7