Name: Name:1-BENZYL-4-TERT-BUTOXYCARBONYLAMINO-PYRROLIDINE-3-CARBOXYLIC ACID, Mixture of diastereomers
Brand: Angene
SKU: AG01E0Z5
Rating: 90 (10 reviews)

1-BENZYL-4-TERT-BUTOXYCARBONYLAMINO-PYRROLIDINE-3-CARBOXYLIC ACID, Mixture of diastereomers

CAS No.:

775572-31-1

Catalog Number:

AG01E0Z5

Molecular Formula:

C17H24N2O4

Molecular Weight:

320.3835

Catalog Number:

AG01E0Z5

Chemical Name:

1-BENZYL-4-TERT-BUTOXYCARBONYLAMINO-PYRROLIDINE-3-CARBOXYLIC ACID, Mixture of diastereomers

CAS Number:

775572-31-1

Molecular Formula:

C17H24N2O4

Molecular Weight:

320.3835

MDL Number:

MFCD14155668

IUPAC Name:

1-benzyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]pyrrolidine-3-carboxylic acid

InChI:

InChI=1S/C17H24N2O4/c1-17(2,3)23-16(22)18-14-11-19(10-13(14)15(20)21)9-12-7-5-4-6-8-12/h4-8,13-14H,9-11H2,1-3H3,(H,18,22)(H,20,21)

InChI Key:

XQJFVIAIJBWDBL-UHFFFAOYSA-N

SMILES:

O=C(OC(C)(C)C)NC1CN(CC1C(=O)O)Cc1ccccc1

Complexity:

427

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

320.174g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

320.389g/mol

Monoisotopic Mass:

320.174g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

78.9A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

0.1