Name: Name:6-Azaspiro[2.5]octane-1,6-dicarboxylic acid, 1-ethyl 6-(phenylmethyl) ester
Brand: Angene
SKU: AG001F1C
Rating: 90 (10 reviews)

6-Azaspiro[2.5]octane-1,6-dicarboxylic acid, 1-ethyl 6-(phenylmethyl) ester

CAS No.:

147610-84-2

Catalog Number:

AG001F1C

Molecular Formula:

C18H23NO4

Molecular Weight:

317.3795

Catalog Number:

AG001F1C

Chemical Name:

6-Azaspiro[2.5]octane-1,6-dicarboxylic acid, 1-ethyl 6-(phenylmethyl) ester

CAS Number:

147610-84-2

Molecular Formula:

C18H23NO4

Molecular Weight:

317.3795

MDL Number:

MFCD20265613

IUPAC Name:

6-O-benzyl 2-O-ethyl 6-azaspiro[2.5]octane-2,6-dicarboxylate

InChI:

InChI=1S/C18H23NO4/c1-2-22-16(20)15-12-18(15)8-10-19(11-9-18)17(21)23-13-14-6-4-3-5-7-14/h3-7,15H,2,8-13H2,1H3

InChI Key:

HPESIWGAJLAFOB-UHFFFAOYSA-N

SMILES:

CCOC(=O)C1CC21CCN(CC2)C(=O)OCc1ccccc1

Complexity:

436

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

317.163g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

317.385g/mol

Monoisotopic Mass:

317.163g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

55.8A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

2.6