Name: Name:3,8-Diazabicyclo[4.2.0]octane-3,8-dicarboxylic acid, 3-(1,1-dimethylethyl) 8-(phenylmethyl) ester
Brand: Angene
SKU: AG001TQY
Rating: 90 (10 reviews)

3,8-Diazabicyclo[4.2.0]octane-3,8-dicarboxylic acid, 3-(1,1-dimethylethyl) 8-(phenylmethyl) ester

CAS No.:

1630906-87-4

Catalog Number:

AG001TQY

Molecular Formula:

C19H26N2O4

Molecular Weight:

346.4207

Catalog Number:

AG001TQY

Chemical Name:

3,8-Diazabicyclo[4.2.0]octane-3,8-dicarboxylic acid, 3-(1,1-dimethylethyl) 8-(phenylmethyl) ester

CAS Number:

1630906-87-4

Molecular Formula:

C19H26N2O4

Molecular Weight:

346.4207

MDL Number:

MFCD28502575

IUPAC Name:

8-O-benzyl 3-O-tert-butyl 3,8-diazabicyclo[4.2.0]octane-3,8-dicarboxylate

InChI:

InChI=1S/C19H26N2O4/c1-19(2,3)25-17(22)20-10-9-15-11-21(16(15)12-20)18(23)24-13-14-7-5-4-6-8-14/h4-8,15-16H,9-13H2,1-3H3

InChI Key:

GBAMNSNKCDOBOO-UHFFFAOYSA-N

SMILES:

O=C(N1CC2C1CN(CC2)C(=O)OC(C)(C)C)OCc1ccccc1

Complexity:

496

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

346.189g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

346.427g/mol

Monoisotopic Mass:

346.189g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

59.1A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

2.7