(3S,4S)-1-Benzylpyrrolidine-3,4-diol

C₁₁H₁₅NO₂CAS 90365-74-5193.25 g/mol

Open in Covalent MOL file

Alcohol Tertiary amine

Properties

Molecular formula: C₁₁H₁₅NO₂
Molar mass: 193.25 g/mol
Exact mass: 193.1103 Da
logP: 0.22Crippen estimate
Polar surface area: 43.7 Å²
H-bond donors / acceptors: 2 / 3
Rotatable bonds: 2
Stereocentres: S, Sin SMILES atom order

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless. Search the SDS library

Identifiers

CAS number

90365-74-5

SMILES

C1[C@@H]([C@H](CN1CC2=CC=CC=C2)O)O

InChIKey

QJRIUWQPJVPYSO-QWRGUYRKSA-N

InChI

InChI=1S/C11H15NO2/c13-10-7-12(8-11(10)14)6-9-4-2-1-3-5-9/h1-5,10-11,13-14H,6-8H2/t10-,11-/m0/s1

Weigh it out

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Names and synonyms

1 names

(3S,4S)-(+)-1-Benzyl-3,4-pyrrolidindiol

Work with (3S,4S)-1-Benzylpyrrolidine-3,4-diol

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.

(3R,4R)-(-)-1-Benzyl-3,4-pyrrolidindiol163439-82-5Enantiomer

Similar compounds

N-Benzyl-3-hydroxyazetidine54881-13-970 % similar Tribenzylamine620-40-658 % similar (3S)-1-(Phenylmethyl)-3-pyrrolidinol101385-90-456 % similar (R)-(+)-1-Benzyl-3-pyrrolidinol101930-07-856 % similar 1-(Phenylmethyl)-3-pyrrolidinol775-15-556 % similar Rel-(3aR,6aS)-Octahydro-2-(phenylmethyl)pyrrolo[3,4-c]pyrrole172739-04-755 % similar 1-Benzyl-4-hydroxypiperidine4727-72-455 % similar 1,4,7,10-Tetrabenzyl-1,4,7,10-tetraazacyclododecane18084-64-554 % similar

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

Same formula

Ethyl 4-(dimethylamino)benzoate10287-53-3 β-Amino-4-ethylbenzenepropanoic acid117391-52-3 6,7-Dimethoxy-1,2,3,4-tetrahydroisoquinoline1745-07-9 4-(Diethylamino)-2-hydroxybenzaldehyde17754-90-4 tert-Butyl 4-aminobenzoate18144-47-3 N,N-Diethyl-2-hydroxybenzamide19311-91-2 1-Methylethyl 3-amino-4-methylbenzoate21447-47-2

Elsewhere

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