O-tert-Butyl-L-serine methyl ester hydrochloride

C₈H₁₈ClNO₃CAS 17114-97-5211.69 g/mol

Open in Covalent MOL file

Ester Ether Primary 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 Å²
H-bond donors / acceptors: 1 / 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

17114-97-5

SMILES

CC(C)(C)OC[C@@H](C(=O)OC)N.Cl

InChIKey

PCIABNBULSRKSU-RGMNGODLSA-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-;/m0./s1

Weigh it out

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Work with O-tert-Butyl-L-serine methyl ester 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.

(R)-Methyl 2-amino-3-(tert-butoxy)propanoate hydrochloride78537-14-1Enantiomer

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 H-Dap(boc)-ome hcl114559-25-058 % similar 3-Chloro-D-alanine methyl ester,hydrochloride112346-82-457 % similar Methyl cysteinate hydrochloride18598-63-557 % similar

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

Elsewhere

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