chempirical

(3S)-3-Pyrrolidinemethanol

C5H11NOCAS 110013-19-9101.15 g/mol

Open in Covalent MOL file
HONH
AlcoholSecondary amine

Properties

Molecular formula
C5H11NO
Molar mass
101.15 g/mol
Exact mass
101.0841 Da
logP
-0.41Crippen estimate
Polar surface area
32.3 Ų
H-bond donors / acceptors
2 / 2
Rotatable bonds
1
Stereocentres
Sin SMILES atom order

Identifiers

CAS number
110013-19-9
SMILES
OC[C@H]1CCNC1
InChIKey
QOTUIIJRVXKSJU-YFKPBYRVSA-N
InChI
InChI=1S/C5H11NO/c7-4-5-1-2-6-3-5/h5-7H,1-4H2/t5-/m0/s1

Weigh it out

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

Names and synonyms

9 names
  • 3-Pyrrolidinemethanol, (3S)-
  • 3-Pyrrolidinemethanol, (S)-
  • 3-(S)-Hydroxymethylpyrrolidine
  • (S)-3-Pyrrolidinemethanol
  • (S)-Pyrrolidin-3-ylmethanol
  • (S)-1-(Pyrrolidin-3-yl)methanol
  • (3S)-Pyrrolidin-3-ylmethanol
  • 3-Pyrrolidinemethanol (3S)-
  • (S)-3-(Hydroxymethyl)pyrrolidine

Work with (3S)-3-Pyrrolidinemethanol

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

3-Piperidinemethanol4606-65-973 % similar 4-Piperidinemethanol6457-49-470 % similar 4-Piperidineethanol622-26-446 % similar Cyclohexanedimethanol105-08-845 % similar Cyclopropanemethanol2516-33-845 % similar trans-1,4-Cyclohexanedimethanol3236-48-445 % similar 4-Piperidinepropanol7037-49-242 % similar 2-(Hydroxymethyl)-1,3-propanediol4704-94-342 % similar

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

Same formula

(S)-(+)-1-Methyl-3-pyrrolidinol104641-59-0 (3R)-1-Methyl-3-pyrrolidinol104641-60-3 (3R)-Tetrahydro-3-furanmethanamine1048962-82-8 (3S)-Tetrahydro-3-furanmethanamine1048962-84-0 N-Methylmorpholine109-02-4 D-Beta-Prolinol110013-18-8 Oxan-3-amine120811-32-7 1-Methyl-3-pyrrolidinol13220-33-2

Elsewhere

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