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

C₉H₁₇NO₄CAS 186393-22-6203.24 g/mol

Open in Covalent MOL file

Alcohol Carbamate

Properties

Molecular formula: C₉H₁₇NO₄
Molar mass: 203.24 g/mol
Exact mass: 203.1158 Da
logP: -0.04Crippen estimate
Polar surface area: 70.0 Å²
H-bond donors / acceptors: 2 / 4
Rotatable bonds: 0
Stereocentres: R, Sin SMILES atom order

Hazards

Warning

H302 Harmful if swallowed100% of notifiers
H315 Causes skin irritation100% of notifiers
H319 Causes serious eye irritation100% of notifiers
H335 May cause respiratory irritation100% of notifiers

Aggregated from 38 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

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

(3R,4R)-tert-Butyl 3-amino-4-hydroxypyrrolidine-1-carboxylate148214-90-876 % similar (3S,4S)-N-Boc-3-amino-4-hydroxypyrrolidine190792-74-676 % similar Rel-1,1-Dimethylethyl (3R,4R)-3-fluoro-4-hydroxy-1-pyrrolidinecarboxylate869481-93-676 % similar 1-N-Boc-3-hydroxyazetidine141699-55-074 % similar 1-Boc-3-(amino)azetidine193269-78-269 % similar trans-tert-Butyl 4-fluoro-3-hydroxypiperidine-1-carboxylate955028-82-766 % similar tert-Butyl 6-Oxa-3-azabicyclo(3.1.0)hexane-3-carboxylate114214-49-266 % similar 1-Boc-azetidine-3-ylmethanol142253-56-365 % 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 Acetyl-DL-carnitine14992-62-2 (3S)-3-(((tert-Butoxy)carbonyl)amino)butanoic acid158851-30-0 (R)-3-((tert-Butoxycarbonyl)amino)butanoic acid159991-23-8 Boc-N-methyl-L-alanine16948-16-6 (S)-3-(Boc-amino)-2-methylpropionic acid190897-47-3

Elsewhere

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