Name: Name:3,8-Diazabicyclo[4.2.0]octane-3-carboxylic acid, 6-methyl-, 1,1-dimethylethyl ester, (1R,6S)-rel-
Brand: Angene
SKU: AG000N53
Rating: 90 (10 reviews)

3,8-Diazabicyclo[4.2.0]octane-3-carboxylic acid, 6-methyl-, 1,1-dimethylethyl ester, (1R,6S)-rel-

CAS No.:

1250994-80-9

Catalog Number:

AG000N53

Molecular Formula:

C12H22N2O2

Molecular Weight:

226.3153

Catalog Number:

AG000N53

Chemical Name:

3,8-Diazabicyclo[4.2.0]octane-3-carboxylic acid, 6-methyl-, 1,1-dimethylethyl ester, (1R,6S)-rel-

CAS Number:

1250994-80-9

Molecular Formula:

C12H22N2O2

Molecular Weight:

226.3153

IUPAC Name:

tert-butyl (1R,6S)-6-methyl-3,8-diazabicyclo[4.2.0]octane-3-carboxylate

InChI:

InChI=1S/C12H22N2O2/c1-11(2,3)16-10(15)14-6-5-12(4)8-13-9(12)7-14/h9,13H,5-8H2,1-4H3/t9-,12-/m0/s1

InChI Key:

PXSDUVHLZMOBDQ-CABZTGNLSA-N

SMILES:

O=C(N1CC[C@@]2([C@H](C1)NC2)C)OC(C)(C)C

Complexity:

298

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

226.168g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

226.32g/mol

Monoisotopic Mass:

226.168g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

41.6A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

1.3