Name: Name:3-Azabicyclo[3.1.0]hexane-3-carboxylic acid, 6-acetyl-, 1,1-dimethylethyl ester, (1α,5α)-
Brand: Angene
SKU: AG000M9F
Rating: 90 (10 reviews)

3-Azabicyclo[3.1.0]hexane-3-carboxylic acid, 6-acetyl-, 1,1-dimethylethyl ester, (1α,5α)-

CAS No.:

1245645-37-7

Catalog Number:

AG000M9F

Molecular Formula:

C12H19NO3

Molecular Weight:

225.2842

Catalog Number:

AG000M9F

Chemical Name:

3-Azabicyclo[3.1.0]hexane-3-carboxylic acid, 6-acetyl-, 1,1-dimethylethyl ester, (1α,5α)-

CAS Number:

1245645-37-7

Molecular Formula:

C12H19NO3

Molecular Weight:

225.2842

MDL Number:

MFCD16659709

IUPAC Name:

tert-butyl (1S,5R)-6-acetyl-3-azabicyclo[3.1.0]hexane-3-carboxylate

InChI:

InChI=1S/C12H19NO3/c1-7(14)10-8-5-13(6-9(8)10)11(15)16-12(2,3)4/h8-10H,5-6H2,1-4H3/t8-,9+,10?

InChI Key:

ZWCSPNASTQNGJH-ULKQDVFKSA-N

SMILES:

CC(=O)C1[C@@H]2[C@H]1CN(C2)C(=O)OC(C)(C)C

Complexity:

320

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

225.136g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

225.288g/mol

Monoisotopic Mass:

225.136g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

46.6A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

0.9