D-Beta-Prolinol

C₅H₁₁NOCAS 110013-18-8101.15 g/mol

Open in Covalent MOL file

Alcohol Secondary 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 Å²
H-bond donors / acceptors: 2 / 2
Rotatable bonds: 1
Stereocentres: Rin SMILES atom order

Identifiers

CAS number

110013-18-8

SMILES

C1CNC[C@@H]1CO

InChIKey

QOTUIIJRVXKSJU-RXMQYKEDSA-N

InChI

InChI=1S/C5H11NO/c7-4-5-1-2-6-3-5/h5-7H,1-4H2/t5-/m1/s1

Weigh it out

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

Names and synonyms

1 names

(R)-Pyrrolidin-3-ylmethanol

Work with D-Beta-Prolinol

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 (3S)-3-Pyrrolidinemethanol110013-19-9 Oxan-3-amine120811-32-7 1-Methyl-3-pyrrolidinol13220-33-2

Elsewhere

PubChem CAS Common Chemistry NIST WebBook