(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

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

Similar compounds

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 Rel-1,1-dimethylethyl (3R,4R)-3-fluoro-4-hydroxy-1-pyrrolidinecarboxylate869481-93-665 % similar (R)-tert-Butyl 3-aminopyrrolidine-1-carboxylate147081-49-056 % similar tert-Butyl 4-aminopiperidine-1-carboxylate87120-72-755 % similar tert-Butyl (3S,4R)-3-fluoro-4-hydroxypiperidine-1-carboxylate1174020-40-655 % similar 1,1-Dimethylethyl (3R,4S)-3-fluoro-4-hydroxy-1-piperidinecarboxylate1174020-42-855 % 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 (3S,4S)-N-Boc-3-amino-4-hydroxypyrrolidine190792-74-6 Dl-alanyl-dl-leucine1999-42-4 L-Alanyl-L-leucine3303-34-2 L-Leucyl-L-alanine7298-84-2

Elsewhere

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