chempirical

H-Asp-otbu

C8H15NO4CAS 4125-93-3189.21 g/mol

Open in Covalent MOL file
OOOOHNH2
Carboxylic acidEsterPrimary amine

Properties

Molecular formula
C8H15NO4
Molar mass
189.21 g/mol
Exact mass
189.1001 Da
logP
0.13Crippen estimate
Polar surface area
89.6 Ų
H-bond donors / acceptors
2 / 4
Rotatable bonds
3
Stereocentres
Sin 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
4125-93-3
SMILES
CC(C)(C)OC(=O)[C@H](CC(=O)O)N
InChIKey
PUWCNJZIFKBDJQ-YFKPBYRVSA-N
InChI
InChI=1S/C8H15NO4/c1-8(2,3)13-7(12)5(9)4-6(10)11/h5H,4,9H2,1-3H3,(H,10,11)/t5-/m0/s1

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Names and synonyms

1 names
  • (3S)-3-Amino-4-(tert-butoxy)-4-oxobutanoic acid

Work with H-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

Similar compounds

(R)-4-Amino-5-(tert-butoxy)-5-oxopentanoic acid25456-76-272 % similar 1-(1,1-Dimethylethyl) hydrogen L-glutamate45120-30-772 % similar L-Asparagine tert-butyl ester25456-86-469 % similar Methyl L-aspartate17812-32-763 % similar 1-Methyl hydrogen D-aspartate65414-78-063 % similar H-Asp(otbu)-otbu hcl1791-13-561 % similar Boc-asp-otbu34582-32-656 % similar (R)-4-(tert-Butoxy)-3-((tert-butoxycarbonyl)amino)-4-oxobutanoic acid77004-75-256 % similar

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

Same formula

[(tert-Butoxycarbonyl)(methyl)amino]acetic acid13734-36-6 Boc-L-alanine15761-38-3 N-(Methoxycarbonyl)-3-methyl-L-valine162537-11-3 Dl-alpha-aminosuberic acid19641-59-9 4-(1,1-Dimethylethyl) hydrogen L-aspartate3057-74-7 Boc-glycine methyl ester31954-27-5 Boc-β-alanine3303-84-2 Boc-dl-alanine3744-87-4

Elsewhere

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