chempirical

Boc-D-aspartic acid

C9H15NO6CAS 62396-48-9233.22 g/mol

Open in Covalent MOL file
OONHOOHOHO
CarbamateCarboxylic acid

Properties

Molecular formula
C9H15NO6
Molar mass
233.22 g/mol
Exact mass
233.0899 Da
logP
0.44Crippen estimate
Polar surface area
112.9 Ų
H-bond donors / acceptors
3 / 4
Rotatable bonds
4
Stereocentres
Rin SMILES atom order

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless. Search the SDS library

Identifiers

CAS number
62396-48-9
SMILES
CC(C)(C)OC(=O)N[C@H](CC(=O)O)C(=O)O
InChIKey
KAJBMCZQVSQJDE-RXMQYKEDSA-N
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-/m1/s1

Weigh it out

Type any one amount. The others follow from the molar mass.

Work with Boc-D-aspartic acid

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Stereoisomers, salts and isotopologues

The same compound in another form: other stereochemistry, a salt or hydrate, the free acid or base, or an isotope-labelled version.

N-tert-Butoxycarbonyl-L-aspartic acid13726-67-5Enantiomer

Similar compounds

Boc-L-glutamic acid2419-94-577 % similar Boc-D-glu-oh34404-28-977 % similar Boc-asp-otbu34582-32-676 % similar (R)-4-(tert-Butoxy)-3-((tert-butoxycarbonyl)amino)-4-oxobutanoic acid77004-75-276 % similar Boc-L-aspartic acid 4-tert-butyl ester1676-90-074 % similar Boc-D-asparagine75647-01-772 % similar Boc-D-abu-oh45121-22-071 % similar (R)-2-((tert-Butoxycarbonyl)amino)-4,4-dimethylpentanoic acid112695-98-469 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Same formula

N-(tert-Butoxycarbonyl)iminodiacetic Acid56074-20-5

Elsewhere

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