(R)-Methyl 2-amino-3-(tert-butoxy)propanoate hydrochloride

C8H18ClNO3CAS 78537-14-1211.69 g/mol

Open in Covalent MOL file
OOONH2HCl
EsterEtherPrimary amine

Properties

Molecular formula
C8H18ClNO3
Molar mass
211.69 g/mol
Exact mass
211.0975 Da
logP
0.72Crippen estimate
Polar surface area
61.5 Ų
H-bond donors / acceptors
1 / 4
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
78537-14-1
SMILES
CC(C)(C)OC[C@H](C(=O)OC)N.Cl
InChIKey
PCIABNBULSRKSU-FYZOBXCZSA-N
InChI
InChI=1S/C8H17NO3.ClH/c1-8(2,3)12-5-6(9)7(10)11-4;/h6H,5,9H2,1-4H3;1H/t6-;/m1./s1

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Names and synonyms

1 names
  • O-tert-Butyl-D-serine methyl ester hydrochloride

Work with (R)-Methyl 2-amino-3-(tert-butoxy)propanoate hydrochloride

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-tert-Butyl-L-serine methyl ester hydrochloride17114-97-5Enantiomer

Similar compounds

H-Ser(tbu)-otbu hcl51537-21-474 % similar Adrenocorticotropic hormone rat77465-10-264 % similar H-Asp(OtBu)-OMe.HCl2673-19-063 % similar L-Glutamic acid 5-tert-butyl methyl ester hydrochloride6234-01-160 % similar (S)-Methyl 2-aminobutanoate hydrochloride56545-22-358 % similar Methyl D-homoalaninate hcl85774-09-058 % similar H-Dap(boc)-ome hcl114559-25-058 % similar 3-Chloro-D-alanine methyl ester,hydrochloride112346-82-457 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

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