Name: Name:3-Azabicyclo[3.1.1]heptane-3-carboxylic acid, 6-(aminocarbonyl)-, 1,1-dimethylethyl ester
Brand: Angene
SKU: AG001ANA
Rating: 90 (10 reviews)

3-Azabicyclo[3.1.1]heptane-3-carboxylic acid, 6-(aminocarbonyl)-, 1,1-dimethylethyl ester

CAS No.:

1392803-91-6

Catalog Number:

AG001ANA

Molecular Formula:

C12H20N2O3

Molecular Weight:

240.2988

Catalog Number:

AG001ANA

Chemical Name:

3-Azabicyclo[3.1.1]heptane-3-carboxylic acid, 6-(aminocarbonyl)-, 1,1-dimethylethyl ester

CAS Number:

1392803-91-6

Molecular Formula:

C12H20N2O3

Molecular Weight:

240.2988

IUPAC Name:

tert-butyl 6-carbamoyl-3-azabicyclo[3.1.1]heptane-3-carboxylate

InChI:

InChI=1S/C12H20N2O3/c1-12(2,3)17-11(16)14-5-7-4-8(6-14)9(7)10(13)15/h7-9H,4-6H2,1-3H3,(H2,13,15)

InChI Key:

LIOMULREOSJHPD-UHFFFAOYSA-N

SMILES:

O=C(N1CC2CC(C1)C2C(=O)N)OC(C)(C)C

Complexity:

336

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

240.147g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

240.303g/mol

Monoisotopic Mass:

240.147g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

72.6A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

0.4