Name: Name:2-Azabicyclo[2.1.1]hexane-2-carboxylic acid, 5-amino-, 1,1-dimethylethyl ester, (1R,4R,5S)-rel-
Brand: Angene
SKU: AG001CB3
Rating: 90 (10 reviews)

2-Azabicyclo[2.1.1]hexane-2-carboxylic acid, 5-amino-, 1,1-dimethylethyl ester, (1R,4R,5S)-rel-

CAS No.:

1403766-80-2

Catalog Number:

AG001CB3

Molecular Formula:

C10H18N2O2

Molecular Weight:

198.2621

Catalog Number:

AG001CB3

Chemical Name:

2-Azabicyclo[2.1.1]hexane-2-carboxylic acid, 5-amino-, 1,1-dimethylethyl ester, (1R,4R,5S)-rel-

CAS Number:

1403766-80-2

Molecular Formula:

C10H18N2O2

Molecular Weight:

198.2621

MDL Number:

MFCD28975718

IUPAC Name:

tert-butyl (1R,4R,5S)-5-amino-2-azabicyclo[2.1.1]hexane-2-carboxylate

InChI:

InChI=1S/C10H18N2O2/c1-10(2,3)14-9(13)12-5-6-4-7(12)8(6)11/h6-8H,4-5,11H2,1-3H3/t6-,7-,8+/m1/s1

InChI Key:

MVDURHAWUZLLLY-PRJMDXOYSA-N

SMILES:

N[C@H]1[C@@H]2C[C@H]1N(C2)C(=O)OC(C)(C)C

Complexity:

259

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

198.137g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

198.266g/mol

Monoisotopic Mass:

198.137g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

55.6A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

0.5