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.

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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 (3S)-3-Amino-4-methoxy-4-oxobutanoic acid17812-32-763 % 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 tert-Butoxycarbonylalanine15761-38-3 N-(Methoxycarbonyl)-3-methyl-L-valine162537-11-3 Dl-alpha-aminosuberic acid19641-59-9 4-tert-Butyl 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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