Name: Name:3-(4-Bromo-phenyl)-2-(tert-butoxycarbonylamino-methyl)-propionic acid methyl ester
Brand: Angene
SKU: AG00GSND
Rating: 90 (10 reviews)

3-(4-Bromo-phenyl)-2-(tert-butoxycarbonylamino-methyl)-propionic acid methyl ester

CAS No.:

886366-46-7

Catalog Number:

AG00GSND

Molecular Formula:

C16H22BrNO4

Molecular Weight:

372.2542

Catalog Number:

AG00GSND

Chemical Name:

3-(4-Bromo-phenyl)-2-(tert-butoxycarbonylamino-methyl)-propionic acid methyl ester

CAS Number:

886366-46-7

Molecular Formula:

C16H22BrNO4

Molecular Weight:

372.2542

MDL Number:

MFCD08061215

IUPAC Name:

methyl 2-[(4-bromophenyl)methyl]-3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate

InChI:

InChI=1S/C16H22BrNO4/c1-16(2,3)22-15(20)18-10-12(14(19)21-4)9-11-5-7-13(17)8-6-11/h5-8,12H,9-10H2,1-4H3,(H,18,20)

InChI Key:

DMLNRZMFIHFUNG-UHFFFAOYSA-N

SMILES:

COC(=O)C(Cc1ccc(cc1)Br)CNC(=O)OC(C)(C)C

Complexity:

373

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

371.073g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

372.259g/mol

Monoisotopic Mass:

371.073g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

64.6A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

3.4