chempirical

(2S,3R)-2-Amino-3-(tert-butoxy)butanoic acid

C8H17NO3CAS 4378-13-6175.23 g/mol

Open in Covalent MOL file
ONH2OOH
Carboxylic acidEtherPrimary amine

Properties

Molecular formula
C8H17NO3
Molar mass
175.23 g/mol
Exact mass
175.1208 Da
logP
0.60Crippen estimate
Polar surface area
72.5 Ų
H-bond donors / acceptors
2 / 3
Rotatable bonds
3
Stereocentres
R, 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
4378-13-6
SMILES
C[C@@H](OC(C)(C)C)[C@H](N)C(=O)O
InChIKey
NMJINEMBBQVPGY-RITPCOANSA-N
InChI
InChI=1S/C8H17NO3/c1-5(6(9)7(10)11)12-8(2,3)4/h5-6H,9H2,1-4H3,(H,10,11)/t5-,6+/m1/s1

Weigh it out

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

Names and synonyms

5 names
  • O-(1,1-Dimethylethyl)-L-threonine
  • L-Threonine, O-(1,1-dimethylethyl)-
  • Butyric acid, 2-amino-3-tert-butoxy-, L-
  • O-tert-Butyl-L-threonine
  • Threonine tert-butyl ether

Work with (2S,3R)-2-Amino-3-(tert-butoxy)butanoic acid

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

(2S,3S)-2-Amino-3-methoxybutanoic acid104195-80-461 % similar O-Methyl-L-threonine4144-02-961 % similar O-(1,1-Dimethylethyl)-L-threonine 1,1-dimethylethyl ester5854-78-460 % similar O-tert-Butyl-L-threonine tert-butyl ester acetate5854-77-356 % similar Methyl (2S,3R)-2-amino-3-(tert-butoxy)butanoate hydrochloride71989-43-054 % similar (2S,3R)-3-(tert-Butoxy)-2-(((tert-butoxy)carbonyl)amino)butanoic acid13734-40-251 % similar Boc-D-thr(tbu)-oh201217-86-951 % similar DL-Valine516-06-350 % similar

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

Same formula

tert-Butyl N-((2R)-1-hydroxypropan-2-yl)carbamate106391-86-0 N-Boc-(R)-1-amino-2-propanol119768-44-4 2-Ethylhexyl nitrate27247-96-7 (2-Hydroxyethyl)methylcarbamic acid 1,1-dimethylethyl ester57561-39-4 3-(Boc-amino)-1-propanol58885-58-8 1,1-Dimethylethyl N-[(1S)-2-hydroxy-1-methylethyl]carbamate79069-13-9

Elsewhere

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