4-tert-Butyl hydrogen L-aspartate

C8H15NO4CAS 3057-74-7189.21 g/mol

Open in Covalent MOL file
OONH2OOH
Carboxylic acidEsterPrimary amine

Properties

Molecular formula
C8H15NO4
Molar mass
189.21 g/mol
Exact mass
189.1001 Da
Melting point
189–190 °C
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
3057-74-7
SMILES
CC(C)(C)OC(=O)C[C@H](N)C(=O)O
InChIKey
MXWMFBYWXMXRPD-YFKPBYRVSA-N
InChI
InChI=1S/C8H15NO4/c1-8(2,3)13-6(10)4-5(9)7(11)12/h5H,4,9H2,1-3H3,(H,11,12)/t5-/m0/s1

Weigh it out

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

Names and synonyms

11 names
  • 4-(1,1-Dimethylethyl) hydrogen L-aspartate
  • L-Aspartic acid, 4-(1,1-dimethylethyl) ester
  • Aspartic acid, 4-tert-butyl ester
  • L-Aspartic acid 4-tert-butyl ester
  • β-tert-Butyl L-aspartate
  • β-tert-Butyl aspartate
  • Aspartic acid β-tert-butyl ester
  • L-Aspartic acid β-tert-butyl ester
  • (S)-2-Amino-4-tert-butoxy-4-oxobutanoic acid
  • (2S)-2-Amino-4-[(2-methylpropan-2-yl)oxy]-4-oxobutanoic acid
  • (2S)-2-Amino-4-(tert-butoxy)-4-oxobutanoic acid

Work with 4-tert-Butyl hydrogen L-aspartate

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.

(2R)-2-Amino-4-(tert-butoxy)-4-oxobutanoic acid64960-75-4Enantiomer

Similar compounds

5-(1,1-Dimethylethyl) hydrogen L-glutamate2419-56-972 % similar H-D-Glu(otbu)-oh45125-00-672 % similar Aspartic acid beta-methyl ester2177-62-063 % similar H-Asp(otbu)-otbu hcl1791-13-561 % similar O-(1,1-Dimethylethyl)-D-serine18783-53-458 % similar O-(1,1-Dimethylethyl)-L-serine18822-58-758 % similar L-Aspartic acid β-methyl ester hydrochloride16856-13-658 % similar Boc-L-aspartic acid 4-tert-butyl ester1676-90-057 % 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 Boc-glycine methyl ester31954-27-5 Boc-β-alanine3303-84-2 Boc-dl-alanine3744-87-4 H-Asp-otbu4125-93-3

Elsewhere

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