Name: Name:1-Pyrrolidinecarboxylic acid, 3-cyano-3-[[(1,1-dimethylethoxy)carbonyl]amino]-, phenylmethyl ester
Brand: Angene
SKU: AG00ILYS
Rating: 90 (10 reviews)

1-Pyrrolidinecarboxylic acid, 3-cyano-3-[[(1,1-dimethylethoxy)carbonyl]amino]-, phenylmethyl ester

CAS No.:

2013058-13-2

Catalog Number:

AG00ILYS

Molecular Formula:

C18H23N3O4

Molecular Weight:

345.3929

Catalog Number:

AG00ILYS

Chemical Name:

1-Pyrrolidinecarboxylic acid, 3-cyano-3-[[(1,1-dimethylethoxy)carbonyl]amino]-, phenylmethyl ester

CAS Number:

2013058-13-2

Molecular Formula:

C18H23N3O4

Molecular Weight:

345.3929

MDL Number:

MFCD31560458

IUPAC Name:

benzyl 3-cyano-3-[(2-methylpropan-2-yl)oxycarbonylamino]pyrrolidine-1-carboxylate

InChI:

InChI=1S/C18H23N3O4/c1-17(2,3)25-15(22)20-18(12-19)9-10-21(13-18)16(23)24-11-14-7-5-4-6-8-14/h4-8H,9-11,13H2,1-3H3,(H,20,22)

InChI Key:

LSTVAQIBEQYMQX-UHFFFAOYSA-N

SMILES:

N#CC1(CCN(C1)C(=O)OCc1ccccc1)NC(=O)OC(C)(C)C

Complexity:

542

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

345.169g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

345.399g/mol

Monoisotopic Mass:

345.169g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

91.7A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

2.1