(R)-4-(tert-Butoxy)-3-((tert-butoxycarbonyl)amino)-4-oxobutanoic acid

C₁₃H₂₃NO₆CAS 77004-75-2289.33 g/mol

Open in Covalent MOL file

Carbamate Carboxylic acid Ester

Properties

Molecular formula: C₁₃H₂₃NO₆
Molar mass: 289.33 g/mol
Exact mass: 289.1525 Da
logP: 1.70Crippen estimate
Polar surface area: 101.9 Å²
H-bond donors / acceptors: 2 / 5
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

77004-75-2

SMILES

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

InChIKey

RAUQRYTYJIYLTF-MRVPVSSYSA-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-/m1/s1

Weigh it out

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

Names and synonyms

1 names

Boc-D-asp-otbu

Work with (R)-4-(tert-Butoxy)-3-((tert-butoxycarbonyl)amino)-4-oxobutanoic 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.

Boc-asp-otbu34582-32-6Enantiomer

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

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