(3R,5S)-5-(Hydroxymethyl)pyrrolidin-3-ol hydrochloride

C₅H₁₂ClNO₂CAS 478922-47-3153.61 g/mol

Open in Covalent MOL file

Alcohol Secondary amine

Properties

Molecular formula: C₅H₁₂ClNO₂
Molar mass: 153.61 g/mol
Exact mass: 153.0557 Da
logP: -0.88Crippen estimate
Polar surface area: 52.5 Å²
H-bond donors / acceptors: 3 / 3
Rotatable bonds: 1
Stereocentres: R, Sin 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 2 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

478922-47-3

SMILES

C1[C@H](CN[C@@H]1CO)O.Cl

InChIKey

IUHDMWJWUWKOFE-UYXJWNHNSA-N

InChI

InChI=1S/C5H11NO2.ClH/c7-3-4-1-5(8)2-6-4;/h4-8H,1-3H2;1H/t4-,5+;/m0./s1

Weigh it out

Type any one amount. The others follow from the molar mass.

Names and synonyms

1 names

(3R,5S)-5-Hydroxymethyl-3-pyrrolidinol hcl

Work with (3R,5S)-5-(Hydroxymethyl)pyrrolidin-3-ol hydrochloride

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

Nortropine hydrochloride14383-51-845 % similar (2R,4S)-4-Hydroxypyrrolidine-2-carboxylic acid hydrochloride142347-81-744 % similar (2R,4R)-4-Hydroxypyrrolidine-2-carboxylic acid hydrochloride77449-94-644 % similar (2R,4R)-4-Hydroxypyrrolidine-2-carboxylic acid methyl ester hydrochloride114676-59-443 % similar cis-4-Hydroxy-L-proline methyl ester hydrochloride40126-30-543 % similar 4-Hydroxy-L-proline methyl ester hydrochloride40216-83-943 % similar Ethyl trans-4-hydroxy-L-prolinate hydrochloride33996-30-441 % similar 3-Hydroxyazetidine hydrochloride18621-18-641 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

(S)-Alanine ethyl ester hydrochloride1115-59-9 Methyl 4-aminobutyrate hydrochloride13031-60-2 (2S)-Morpholin-2-ylmethanol hydrochloride1313584-92-7 Propan-2-yl 2-aminoacetate hydrochloride14019-62-6 2-(Hydroxymethyl)morpholine hydrochloride144053-98-5 3-Dimethylaminopropionic acid hydrochloride14788-12-6 α-Aminoisobutyric acid methyl ester hydrochloride15028-41-8 (2S)-1,4-Dioxane-2-methanamine hydrochloride1523541-96-9

Elsewhere

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