CAS 4132-86-9 | 2-(((Benzyloxy);carbonyl);amino);propanoic acid | CAS Number 4132-86-9

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4132-86-9 | 2-(((Benzyloxy);carbonyl);amino);propanoic acid

CAS No: 4132-86-9 Catalog No: AG003VDI MDL No:MFCD00063125

Product Description

Catalog Number:

AG003VDI

Chemical Name:

2-(((Benzyloxy);carbonyl);amino);propanoic acid

CAS Number:

4132-86-9

Molecular Formula:

C11H13NO4

Molecular Weight:

223.2252

MDL Number:

MFCD00063125

IUPAC Name:

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)

InChI Key:

TYRGLVWXHJRKMT-UHFFFAOYSA-N

SMILES:

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

EC Number:

223-953-6

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
Rational nanoconjugation improves biocatalytic performance of enzymes: aldol addition catalyzed by immobilized rhamnulose-1-phosphate aldolase.	Langmuir : the ACS journal of surfaces and colloids 20120417
Eutectic formation analysis of amino acid mixtures using molecular dynamics simulations.	Biotechnology progress 20050101