(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

Ester Ether Secondary 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 Å²
H-bond donors / acceptors: 1 / 4
Rotatable bonds: 7
Stereocentres: S, S, Rin SMILES atom order

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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