Name: Name:2-Azabicyclo[2.2.1]hept-5-ene-3-carboxylic acid, 2-[(1R)-1-phenylethyl]-, ethyl ester, (1S,3S,4R)-
Brand: Angene
SKU: AG009C77
Rating: 90 (10 reviews)

2-Azabicyclo[2.2.1]hept-5-ene-3-carboxylic acid, 2-[(1R)-1-phenylethyl]-, ethyl ester, (1S,3S,4R)-

CAS No.:

134984-63-7

Catalog Number:

AG009C77

Molecular Formula:

C17H21NO2

Molecular Weight:

271.3541

Catalog Number:

AG009C77

Chemical Name:

2-Azabicyclo[2.2.1]hept-5-ene-3-carboxylic acid, 2-[(1R)-1-phenylethyl]-, ethyl ester, (1S,3S,4R)-

CAS Number:

134984-63-7

Molecular Formula:

C17H21NO2

Molecular Weight:

271.3541

MDL Number:

MFCD28386933

IUPAC Name:

ethyl (1S,3S,4R)-2-[(1R)-1-phenylethyl]-2-azabicyclo[2.2.1]hept-5-ene-3-carboxylate

InChI:

InChI=1S/C17H21NO2/c1-3-20-17(19)16-14-9-10-15(11-14)18(16)12(2)13-7-5-4-6-8-13/h4-10,12,14-16H,3,11H2,1-2H3/t12-,14+,15-,16+/m1/s1

InChI Key:

WPVULUCPUMGINO-BVUBDWEXSA-N

SMILES:

CCOC(=O)[C@@H]1[C@H]2C=C[C@@H](N1[C@@H](c1ccccc1)C)C2

Complexity:

387

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

271.157g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

271.36g/mol

Monoisotopic Mass:

271.157g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

29.5A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

3.1