CAS 26607-51-2 | D-Alanine, N-[(phenylmethoxy)carbonyl]- | CAS Number 26607-51-2

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26607-51-2 | D-Alanine, N-[(phenylmethoxy)carbonyl]-

CAS No: 26607-51-2 Catalog No: AG002TV8 MDL No:MFCD00063126

Product Description

Catalog Number:

AG002TV8

Chemical Name:

D-Alanine, N-[(phenylmethoxy)carbonyl]-

CAS Number:

26607-51-2

Molecular Formula:

C11H13NO4

Molecular Weight:

223.2252

MDL Number:

MFCD00063126

IUPAC Name:

(2R)-2-(phenylmethoxycarbonylamino)propanoic acid

InChI:

InChI=1S/C11H13NO4/c1-8(10(13)14)12-11(15)16-7-9-5-3-2-4-6-9/h2-6,8H,7H2,1H3,(H,12,15)(H,13,14)/t8-/m1/s1

InChI Key:

TYRGLVWXHJRKMT-MRVPVSSYSA-N

SMILES:

C[C@H](C(=O)O)NC(=O)OCc1ccccc1

Properties

Complexity:

248

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

223.084g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

223.228g/mol

Monoisotopic Mass:

223.084g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

75.6A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

1.4

Literature

Title	Journal
Substituted hippurates and hippurate analogs as substrates and inhibitors of peptidylglycine alpha-hydroxylating monooxygenase (PHM).	Bioorganic & medicinal chemistry 20081201
Synthesis of phosphoryl-tethered beta-cyclodextrins and their molecular and chiral recognition thermodynamics.	The Journal of organic chemistry 20030502