(3R,4R)-tert-Butyl 3-amino-4-hydroxypyrrolidine-1-carboxylate

C₉H₁₈N₂O₃CAS 148214-90-8202.25 g/mol

Open in Covalent MOL file

Alcohol Carbamate Primary amine

Properties

Molecular formula: C₉H₁₈N₂O₃
Molar mass: 202.25 g/mol
Exact mass: 202.1317 Da
logP: -0.07Crippen estimate
Polar surface area: 75.8 Å²
H-bond donors / acceptors: 2 / 4
Rotatable bonds: 0
Stereocentres: R, Rin SMILES atom order

Hazards

Warning

H315 Causes skin irritation100% of notifiers
H319 Causes serious eye irritation100% of notifiers
H335 May cause respiratory irritation100% of notifiers

Aggregated from 4 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

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

Identifiers

CAS number

148214-90-8

SMILES

CC(C)(C)OC(=O)N1C[C@H]([C@@H](C1)O)N

InChIKey

MOZOQDNRVPHFOO-RNFRBKRXSA-N

InChI

InChI=1S/C9H18N2O3/c1-9(2,3)14-8(13)11-4-6(10)7(12)5-11/h6-7,12H,4-5,10H2,1-3H3/t6-,7-/m1/s1

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Names and synonyms

1 names

(3R,4R)-3-Amino-1-Boc-4-hydroxypyrrolidine

Work with (3R,4R)-tert-Butyl 3-amino-4-hydroxypyrrolidine-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

Stereoisomers, salts and isotopologues

The same compound in another form: other stereochemistry, a salt or hydrate, the free acid or base, or an isotope-labelled version.

(3S,4S)-N-Boc-3-amino-4-hydroxypyrrolidine190792-74-6Enantiomer

Similar compounds

(3R,4S)-tert-Butyl 3,4-dihydroxypyrrolidine-1-carboxylate186393-22-676 % similar 1-Boc-3-(amino)azetidine193269-78-267 % similar tert-Butyl (3R,4R)-3-amino-4-(hydroxymethyl)pyrrolidine-1-carboxylate1207853-71-166 % similar 1,1-Dimethylethyl (3S,4S)-3-amino-4-fluoro-1-pyrrolidinecarboxylate1009075-43-765 % similar 1,1-Dimethylethyl (3S,4R)-3-amino-4-fluoro-1-pyrrolidinecarboxylate1174020-30-465 % similar tert-Butyl (3R,4R)-3-amino-4-fluoropyrrolidine-1-carboxylate1441392-27-365 % similar Rel-1,1-Dimethylethyl (3R,4R)-3-fluoro-4-hydroxy-1-pyrrolidinecarboxylate869481-93-665 % similar 1-N-Boc-3-hydroxyazetidine141699-55-062 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

1,1-Dimethylethyl 3-(aminomethyl)-3-hydroxy-1-azetidinecarboxylate1008526-71-3 4-(2-Hydroxyethyl)-piperazin-1-carboxylic acid ethyl ester14000-66-9 DL-Alanyl-DL-leucine1999-42-4 L-Alanyl-L-leucine3303-34-2 L-Leucyl-L-alanine7298-84-2

Elsewhere

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