(3R,4S,5S)-tert-Butyl 3-methoxy-5-methyl-4-(methylamino)heptanoate hydroc hloride

C14H30ClNO3CAS 120205-48-3295.85 g/mol

Open in Covalent MOL file
OOOHNHCl
EsterEtherSecondary amine

Properties

Molecular formula
C14H30ClNO3
Molar mass
295.85 g/mol
Exact mass
295.1914 Da
logP
2.79Crippen estimate
Polar surface area
47.6 Ų
H-bond donors / acceptors
1 / 4
Rotatable bonds
7
Stereocentres
S, S, 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
120205-48-3
SMILES
CC[C@H](C)[C@@H]([C@@H](CC(=O)OC(C)(C)C)OC)NC.Cl
InChIKey
JRXGCIIOQALIMZ-LWEGJDAASA-N
InChI
InChI=1S/C14H29NO3.ClH/c1-8-10(2)13(15-6)11(17-7)9-12(16)18-14(3,4)5;/h10-11,13,15H,8-9H2,1-7H3;1H/t10-,11+,13-;/m0./s1

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Names and synonyms

1 names
  • (3r,4s,5s)-tert-Butyl 3-methoxy-5-methyl-4-(methylamino)heptanoate hydrochloride

Work with (3R,4S,5S)-tert-Butyl 3-methoxy-5-methyl-4-(methylamino)heptanoate hydroc hloride

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

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Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

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