4-tert-Butyl hydrogen L-aspartate
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. Search the SDS library
Identifiers
CAS number
3057-74-7SMILES
CC(C)(C)OC(=O)C[C@H](N)C(=O)OInChIKey
MXWMFBYWXMXRPD-YFKPBYRVSA-NInChI
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/s1Weigh 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
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.
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