chempirical

(3R,4S)-tert-Butyl 3,4-dihydroxypyrrolidine-1-carboxylate

C9H17NO4CAS 186393-22-6203.24 g/mol

Open in Covalent MOL file
OONOHOH
AlcoholCarbamate

Properties

Molecular formula
C9H17NO4
Molar mass
203.24 g/mol
Exact mass
203.1158 Da
logP
-0.04Crippen estimate
Polar surface area
70.0 Ų
H-bond donors / acceptors
2 / 4
Rotatable bonds
0
Stereocentres
R, Sin SMILES atom order

Identifiers

CAS number
186393-22-6
SMILES
CC(C)(C)OC(=O)N1C[C@H]([C@H](C1)O)O
InChIKey
MAXQBMZDVBHSLW-KNVOCYPGSA-N
InChI
InChI=1S/C9H17NO4/c1-9(2,3)14-8(13)10-4-6(11)7(12)5-10/h6-7,11-12H,4-5H2,1-3H3/t6-,7+

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Names and synonyms

1 names
  • Compound 10

Work with (3R,4S)-tert-Butyl 3,4-dihydroxypyrrolidine-1-carboxylate

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

Rel-1,1-dimethylethyl (3R,4R)-3-fluoro-4-hydroxy-1-pyrrolidinecarboxylate869481-93-676 % similar tert-Butyl 3-bromoazetidine-1-carboxylate1064194-10-064 % similar tert-Butyl (3S,4R)-3-fluoro-4-hydroxypiperidine-1-carboxylate1174020-40-663 % similar 1,1-Dimethylethyl (3R,4S)-3-fluoro-4-hydroxy-1-piperidinecarboxylate1174020-42-863 % similar 1,1-Dimethylethyl 3-(1-hydroxy-1-methylethyl)-1-azetidinecarboxylate1257293-79-063 % similar 1-Boc-azetidine-3-carboxylic acid142253-55-263 % similar tert-Butyl (3R)-3-hydroxypyrrolidine-1-carboxylate109431-87-061 % similar Hexahydropyrrolo[3,4-C]pyrrole-2-carboxylic acid tert-butyl ester141449-85-660 % similar

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

Same formula

(R)-3-((tert-Butoxycarbonyl)amino)-2-methylpropanoic acid132696-45-8 tert-Butoxycarbonylamino-acetic acid ethyl ester14719-37-0 Boc-N-ethyl glycine149794-10-5 (3S)-3-(((tert-Butoxy)carbonyl)amino)butanoic acid158851-30-0 (3R)-3-[[(1,1-Dimethylethoxy)carbonyl]amino]butanoic acid159991-23-8 Boc-N-methyl-L-alanine16948-16-6 (S)-3-(Boc-amino)-2-methylpropionic acid190897-47-3 Boc-N-methyl-D-alanine19914-38-6

Elsewhere

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