Boc-asp-otbu

C13H23NO6CAS 34582-32-6289.33 g/mol

Open in Covalent MOL file
OOOHONHOO
CarbamateCarboxylic acidEster

Properties

Molecular formula
C13H23NO6
Molar mass
289.33 g/mol
Exact mass
289.1525 Da
logP
1.70Crippen estimate
Polar surface area
101.9 Ų
H-bond donors / acceptors
2 / 5
Rotatable bonds
4
Stereocentres
Sin SMILES atom order

Hazards

Warning
Irritant (GHS07)

Aggregated from the ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number
34582-32-6
SMILES
CC(C)(C)OC(=O)[C@H](CC(=O)O)NC(=O)OC(C)(C)C
InChIKey
RAUQRYTYJIYLTF-QMMMGPOBSA-N
InChI
InChI=1S/C13H23NO6/c1-12(2,3)19-10(17)8(7-9(15)16)14-11(18)20-13(4,5)6/h8H,7H2,1-6H3,(H,14,18)(H,15,16)/t8-/m0/s1

Weigh it out

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

Work with Boc-asp-otbu

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.

(R)-4-(tert-Butoxy)-3-((tert-butoxycarbonyl)amino)-4-oxobutanoic acid77004-75-2Enantiomer

Similar compounds

Boc-D-aspartic acid62396-48-976 % similar Boc-D-glu-otbu73872-71-675 % similar (3S)-3-(((tert-Butoxy)carbonyl)amino)butanoic acid158851-30-069 % similar (S)-3-((((9H-Fluoren-9-yl)methoxy)carbonyl)amino)-4-(tert-butoxy)-4-oxobutanoic acid129460-09-966 % similar Fmoc-D-asp-otbu134098-70-766 % similar N-Alpha-tert-Butyloxycarbonylaspartic acid beta-fluorenylmethyl ester129046-87-363 % similar (4S)-4-(((tert-Butoxy)carbonyl)amino)-5-methoxy-5-oxopentanoic acid72086-72-762 % similar Boc-L-beta-homovaline183990-64-962 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

Boc-L-aspartic acid 4-tert-butyl ester1676-90-0

Elsewhere

PubChem CAS Common Chemistry NIST WebBook