H-Asp(otbu)-otbu hcl

C12H24ClNO4CAS 1791-13-5281.78 g/mol

Open in Covalent MOL file
OOOONH2HCl
EsterPrimary amine

Properties

Molecular formula
C12H24ClNO4
Molar mass
281.78 g/mol
Exact mass
281.1394 Da
logP
1.81Crippen estimate
Polar surface area
78.6 Ų
H-bond donors / acceptors
1 / 5
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.

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Identifiers

CAS number
1791-13-5
SMILES
CC(C)(C)OC(=O)C[C@@H](C(=O)OC(C)(C)C)N.Cl
InChIKey
GVLZIMQSYQDAHB-QRPNPIFTSA-N
InChI
InChI=1S/C12H23NO4.ClH/c1-11(2,3)16-9(14)7-8(13)10(15)17-12(4,5)6;/h8H,7,13H2,1-6H3;1H/t8-;/m0./s1

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Names and synonyms

1 names
  • L-Aspartic acid, bis(1,1-dimethylethyl) ester, hydrochloride

Work with H-Asp(otbu)-otbu hcl

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

H-Asp(OtBu)-OMe.HCl2673-19-081 % similar (R)-Di-tert-butyl 2-aminopentanedioate hydrochloride172793-31-673 % similar L-Glutamic acid di-tert-butyl ester hydrochloride32677-01-373 % similar L-Cystine bis(T-butyl ester) dihydrochloride38261-78-865 % similar H-Ser(tbu)-otbu hcl51537-21-465 % similar tert-Butyl (2S)-2-aminopentanoate hydrochloride119483-47-563 % similar H-D-Leu-otbu hcl13081-32-863 % similar L-Leucine tert-butyl ester hydrochloride2748-02-963 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

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