Name: Name:Hexanoic acid,3-[[[(1,1-dimethylethoxy)carbonyl]amino]methyl]-5-methyl-, (3S)-
Brand: Angene
SKU: AG00IBFJ
Rating: 90 (10 reviews)

Hexanoic acid,3-[[[(1,1-dimethylethoxy)carbonyl]amino]methyl]-5-methyl-, (3S)-

CAS No.:

649748-09-4

Catalog Number:

AG00IBFJ

Molecular Formula:

C13H25NO4

Molecular Weight:

259.3419

Catalog Number:

AG00IBFJ

Chemical Name:

Hexanoic acid,3-[[[(1,1-dimethylethoxy)carbonyl]amino]methyl]-5-methyl-, (3S)-

CAS Number:

649748-09-4

Molecular Formula:

C13H25NO4

Molecular Weight:

259.3419

MDL Number:

MFCD21247143

IUPAC Name:

(3S)-5-methyl-3-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]hexanoic acid

InChI:

InChI=1S/C13H25NO4/c1-9(2)6-10(7-11(15)16)8-14-12(17)18-13(3,4)5/h9-10H,6-8H2,1-5H3,(H,14,17)(H,15,16)/t10-/m0/s1

InChI Key:

PYBXMFXUNZVYRB-JTQLQIEISA-N

SMILES:

CC(C[C@@H](CC(=O)O)CNC(=O)OC(C)(C)C)C

Complexity:

281

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

259.178g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

259.346g/mol

Monoisotopic Mass:

259.178g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

75.6A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

2.4