chempirical

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

C5H12ClNO2CAS 478922-47-3153.61 g/mol

Open in Covalent MOL file
HNHOOHHCl
AlcoholSecondary 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 Ų
H-bond donors / acceptors
3 / 3
Rotatable bonds
1
Stereocentres
R, 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
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

PubChem CAS Common Chemistry NIST WebBook