CAS 13726-67-5 | L-Aspartic acid, N-[(1,1-dimethylethoxy)carbonyl]- | CAS Number 13726-67-5

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13726-67-5 | L-Aspartic acid, N-[(1,1-dimethylethoxy)carbonyl]-

CAS No: 13726-67-5 Catalog No: AG00131H MDL No:MFCD00037279

Product Description

Catalog Number:

AG00131H

Chemical Name:

L-Aspartic acid, N-[(1,1-dimethylethoxy)carbonyl]-

CAS Number:

13726-67-5

Molecular Formula:

C9H15NO6

Molecular Weight:

233.2185

MDL Number:

MFCD00037279

IUPAC Name:

(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanedioic acid

InChI:

InChI=1S/C9H15NO6/c1-9(2,3)16-8(15)10-5(7(13)14)4-6(11)12/h5H,4H2,1-3H3,(H,10,15)(H,11,12)(H,13,14)/t5-/m0/s1

InChI Key:

KAJBMCZQVSQJDE-YFKPBYRVSA-N

SMILES:

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

EC Number:

237-294-7

Properties

Complexity:

293

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

233.09g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

233.22g/mol

Monoisotopic Mass:

233.09g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

113A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

0.1

Literature

Title	Journal
Synthesis and characterisation of biologically compatible TiO2 nanoparticles.	Nanoscale research letters 20110101
Structure-activity study of L-amino acid-based N-type calcium channel blockers.	Bioorganic & medicinal chemistry 20030417
Carbonic anhydrase activators: human isozyme II is strongly activated by oligopeptides incorporating the carboxyterminal sequence of the bicarbonate anion exchanger AE1.	Bioorganic & medicinal chemistry letters 20020422