Boc-D-aspartic acid

C9H15NO6CAS 62396-48-9233.22 g/mol

Open in Covalent MOL file
OONHOOHOOH
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.

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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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