O-(1,1-Dimethylethyl)-D-serine

C7H15NO3CAS 18783-53-4161.20 g/mol

Open in Covalent MOL file
ONH2OOH
Carboxylic acidEtherPrimary amine

Properties

Molecular formula
C7H15NO3
Molar mass
161.20 g/mol
Exact mass
161.1052 Da
logP
0.21Crippen estimate
Polar surface area
72.5 Ų
H-bond donors / acceptors
2 / 3
Rotatable bonds
3
Stereocentres
Rin 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
18783-53-4
SMILES
CC(C)(C)OC[C@@H](N)C(=O)O
InChIKey
DDCPKNYKNWXULB-RXMQYKEDSA-N
InChI
InChI=1S/C7H15NO3/c1-7(2,3)11-4-5(8)6(9)10/h5H,4,8H2,1-3H3,(H,9,10)/t5-/m1/s1

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Names and synonyms

8 names
  • D-Serine, O-(1,1-dimethylethyl)-
  • Alanine, 3-tert-butoxy-, D-
  • O-tert-Butyl-D-serine
  • D-Serine β-tert-butylether
  • (R)-2-Amino-3-tert-butoxy-propionic acid
  • D-Alanine, 3-[(1,1-dimethylethyl)dioxy]-
  • (2R)-2-Amino-3-(tert-butoxy)propanoic acid
  • (R)-2-Amino-3-(tert-butoxy)propanoic acid

Work with O-(1,1-Dimethylethyl)-D-serine

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.

O-(1,1-Dimethylethyl)-L-serine18822-58-7Enantiomer

Similar compounds

Dl-O-methylserine19794-53-759 % similar (S)-2-Amino-3-methoxypropanoic acid32620-11-459 % similar 4-tert-Butyl hydrogen L-aspartate3057-74-758 % similar (2R)-2-Amino-4-(tert-butoxy)-4-oxobutanoic acid64960-75-458 % similar 5-(1,1-Dimethylethyl) hydrogen L-glutamate2419-56-955 % similar H-D-Glu(otbu)-oh45125-00-655 % similar O-Acetylserine5147-00-254 % similar H-Ser(tbu)-otbu hcl51537-21-454 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

tert-Butyl N-(2-hydroxyethyl)carbamate26690-80-2 (±)-Carnitine461-06-3 (+)-Carnitine541-14-0 (-)-Carnitine541-15-1 Rel-(5R,6S)-6-Amino-2,2-dimethyl-1,3-dioxepan-5-ol79944-37-9

Elsewhere

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