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

C₁₀H₂₀N₂O₃CAS 1207853-71-1216.28 g/mol

Open in Covalent MOL file

Alcohol Carbamate Primary amine

Properties

Molecular formula: C₁₀H₂₀N₂O₃
Molar mass: 216.28 g/mol
Exact mass: 216.1474 Da
logP: 0.17Crippen estimate
Polar surface area: 75.8 Å²
H-bond donors / acceptors: 2 / 4
Rotatable bonds: 1
Stereocentres: R, Rin SMILES atom order

Identifiers

CAS number

1207853-71-1

SMILES

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

InChIKey

ZJLQOBHAWWWERW-YUMQZZPRSA-N

InChI

InChI=1S/C10H20N2O3/c1-10(2,3)15-9(14)12-4-7(6-13)8(11)5-12/h7-8,13H,4-6,11H2,1-3H3/t7-,8-/m0/s1

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Names and synonyms

1 names

tert-Butyl (3R)-3-amino-4-(hydroxymethyl)pyrrolidine-1-carboxyla

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

1,1-Dimethylethyl (3S,4S)-3-amino-4-fluoro-1-pyrrolidinecarboxylate1009075-43-762 % similar 1,1-Dimethylethyl (3S,4R)-3-amino-4-fluoro-1-pyrrolidinecarboxylate1174020-30-462 % similar Hexahydropyrrolo[3,4-C]pyrrole-2-carboxylic acid tert-butyl ester141449-85-656 % similar tert-Butyl 3-(hydroxymethyl)pyrrolidine-1-carboxylate114214-69-655 % similar N-Boc-4-piperidinemethanol123855-51-653 % similar tert-Butyl 6-Oxa-3-azabicyclo(3.1.0)hexane-3-carboxylate114214-49-253 % similar N-Boc-piperidine-3-methanol116574-71-152 % similar 2-Hydroxymethylmorpholine-4-carboxylic acid tert-butyl ester135065-69-952 % similar

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

Same formula

tert-Butyl 2-(aminomethyl)morpholine-4-carboxylate140645-53-0 1,1-Dimethylethyl (3S)-3-(hydroxymethyl)-1-piperazinecarboxylate314741-40-7 1,1-Dimethylethyl N-[(3S,5S)-5-(hydroxymethyl)-3-pyrrolidinyl]carbamate663948-85-4

Elsewhere

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