Name: Name:3-{[(benzyloxy)carbonyl]aMino}-3-Methylbutanoic acid
Brand: Angene
SKU: AG00DGXH
Rating: 90 (10 reviews)

3-{[(benzyloxy)carbonyl]aMino}-3-Methylbutanoic acid

CAS No.:

51219-55-7

Catalog Number:

AG00DGXH

Molecular Formula:

C13H17NO4

Molecular Weight:

251.2784

Catalog Number:

AG00DGXH

Chemical Name:

3-{[(benzyloxy)carbonyl]aMino}-3-Methylbutanoic acid

CAS Number:

51219-55-7

Molecular Formula:

C13H17NO4

Molecular Weight:

251.2784

MDL Number:

MFCD18206364

IUPAC Name:

3-methyl-3-(phenylmethoxycarbonylamino)butanoic acid

InChI:

InChI=1S/C13H17NO4/c1-13(2,8-11(15)16)14-12(17)18-9-10-6-4-3-5-7-10/h3-7H,8-9H2,1-2H3,(H,14,17)(H,15,16)

InChI Key:

LVFPDQUAUOUBPO-UHFFFAOYSA-N

SMILES:

O=C(NC(CC(=O)O)(C)C)OCc1ccccc1

Complexity:

295

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

251.116g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

251.282g/mol

Monoisotopic Mass:

251.116g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

75.6A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

1.6