Name: Name:3,7-Diazabicyclo[4.2.0]octane-3,7-dicarboxylic acid, 3-(1,1-dimethylethyl) 7-(phenylmethyl) ester
Brand: Angene
SKU: AG0026CQ
Rating: 90 (10 reviews)

3,7-Diazabicyclo[4.2.0]octane-3,7-dicarboxylic acid, 3-(1,1-dimethylethyl) 7-(phenylmethyl) ester

CAS No.:

1788041-44-0

Catalog Number:

AG0026CQ

Molecular Formula:

C19H26N2O4

Molecular Weight:

346.4207

Catalog Number:

AG0026CQ

Chemical Name:

3,7-Diazabicyclo[4.2.0]octane-3,7-dicarboxylic acid, 3-(1,1-dimethylethyl) 7-(phenylmethyl) ester

CAS Number:

1788041-44-0

Molecular Formula:

C19H26N2O4

Molecular Weight:

346.4207

MDL Number:

MFCD28502576

IUPAC Name:

7-O-benzyl 3-O-tert-butyl 3,7-diazabicyclo[4.2.0]octane-3,7-dicarboxylate

InChI:

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

InChI Key:

MYMIEWSPEXXWTG-UHFFFAOYSA-N

SMILES:

O=C(N1CC2C1CCN(C2)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