Name: Name:N-[(Phenylmethoxy)carbonyl]-beta-alanine tert-butyl ester
Brand: Angene
SKU: AG00ANPJ
Rating: 90 (10 reviews)

N-[(Phenylmethoxy)carbonyl]-beta-alanine tert-butyl ester

CAS No.:

18605-26-0

Catalog Number:

AG00ANPJ

Molecular Formula:

C15H21NO4

Molecular Weight:

279.3315

Catalog Number:

AG00ANPJ

Chemical Name:

N-[(Phenylmethoxy)carbonyl]-beta-alanine tert-butyl ester

CAS Number:

18605-26-0

Molecular Formula:

C15H21NO4

Molecular Weight:

279.3315

MDL Number:

MFCD03837779

IUPAC Name:

tert-butyl 3-(phenylmethoxycarbonylamino)propanoate

InChI:

InChI=1S/C15H21NO4/c1-15(2,3)20-13(17)9-10-16-14(18)19-11-12-7-5-4-6-8-12/h4-8H,9-11H2,1-3H3,(H,16,18)

InChI Key:

RLEOEDXSMUQCMZ-UHFFFAOYSA-N

SMILES:

O=C(OCc1ccccc1)NCCC(=O)OC(C)(C)C

Complexity:

316

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

279.147g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

279.336g/mol

Monoisotopic Mass:

279.147g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

64.6A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

2.2