Name: Name:tert-butyl 3-cyano-3-acetamidopyrrolidine-1-carboxylate
Brand: Angene
SKU: AG01BB3C
Rating: 90 (10 reviews)

tert-butyl 3-cyano-3-acetamidopyrrolidine-1-carboxylate

CAS No.:

1803582-78-6

Catalog Number:

AG01BB3C

Molecular Formula:

C12H19N3O3

Molecular Weight:

253.2976

Catalog Number:

AG01BB3C

Chemical Name:

tert-butyl 3-cyano-3-acetamidopyrrolidine-1-carboxylate

CAS Number:

1803582-78-6

Molecular Formula:

C12H19N3O3

Molecular Weight:

253.2976

MDL Number:

MFCD28714553

IUPAC Name:

tert-butyl 3-acetamido-3-cyanopyrrolidine-1-carboxylate

InChI:

InChI=1S/C12H19N3O3/c1-9(16)14-12(7-13)5-6-15(8-12)10(17)18-11(2,3)4/h5-6,8H2,1-4H3,(H,14,16)

InChI Key:

IXLNDWHUHHMDEG-UHFFFAOYSA-N

SMILES:

N#CC1(CCN(C1)C(=O)OC(C)(C)C)NC(=O)C

Complexity:

405

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

253.143g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

253.302g/mol

Monoisotopic Mass:

253.143g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

82.4A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

0.2