D-Proline tert-butyl ester hydrochloride

C₉H₁₈ClNO₂CAS 184719-80-0207.70 g/mol

Open in Covalent MOL file

Ester Secondary amine

Properties

Molecular formula: C₉H₁₈ClNO₂
Molar mass: 207.70 g/mol
Exact mass: 207.1026 Da
logP: 1.50Crippen estimate
Polar surface area: 38.3 Å²
H-bond donors / acceptors: 1 / 3
Rotatable bonds: 1
Stereocentres: Rin SMILES atom order

Identifiers

CAS number

184719-80-0

SMILES

CC(C)(C)OC(=O)[C@H]1CCCN1.Cl

InChIKey

IUUYANMOEMBTBV-OGFXRTJISA-N

InChI

InChI=1S/C9H17NO2.ClH/c1-9(2,3)12-8(11)7-5-4-6-10-7;/h7,10H,4-6H2,1-3H3;1H/t7-;/m1./s1

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Names and synonyms

1 names

tert-Butyl (2R)-pyrrolidine-2-carboxylate hydrochloride

Work with D-Proline tert-butyl 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

Similar compounds

L-Proline 1,1-dimethylethyl ester2812-46-690 % similar (R)-Proline methyl ester hydrochloride65365-28-864 % similar H-D-Pro-oet hcl131477-20-861 % similar D-Proline methyl ester43041-12-956 % similar Methyl pipecolinate41994-45-050 % similar N-Epsilon-t-Butyloxycarbonyl-L-lysine t-butyl ester hydrochloride13288-57-849 % similar L-Proline benzyl ester hydrochloride16652-71-449 % similar (R)-Di-tert-butyl 2-aminopentanedioate hydrochloride172793-31-649 % similar

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

Same formula

H-Chg-ome hcl14328-63-3 Methacryloyloxyethyltrimethylammonium chloride homopolymer26161-33-1 [2-(Methacryloyloxy)ethyl]trimethylammonium chloride5039-78-1 (S)-Proline tert-butyl ester hydrochloride5497-76-7

Elsewhere

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