(2R,3S)-1-benzyl-2-(hydroxymethyl)pyrrolidin-3-ol

C12H17NO2 — CID 10998222

IUPAC(2R,3S)-1-benzyl-2-(hydroxymethyl)pyrrolidin-3-ol
SMILESOC[C@@H]1[C@@H](O)CCN1Cc1ccccc1
InChIInChI=1S/C12H17NO2/c14-9-11-12(15)6-7-13(11)8-10-4-2-1-3-5-10/h1-5,11-12,14-15H,6-9H2/t11-,12+/m1/s1
InChIKeyPSHUWNWXCPIDRW-NEPJUHHUSA-N
MW207.27 g/mol
LogP0.61
Rot. Bonds3

About (2R,3S)-1-benzyl-2-(hydroxymethyl)pyrrolidin-3-ol

(2R,3S)-1-benzyl-2-(hydroxymethyl)pyrrolidin-3-ol (PubChem CID 10998222) has the molecular formula C12H17NO2 and a molecular weight of 207.27 g/mol. Its IUPAC name is (2R,3S)-1-benzyl-2-(hydroxymethyl)pyrrolidin-3-ol.

Molecular Properties

Compound Name(2R,3S)-1-benzyl-2-(hydroxymethyl)pyrrolidin-3-ol
PubChem CID10998222
Molecular FormulaC12H17NO2
Molecular Weight207.27 g/mol
Exact Mass207.13
IUPAC Name(2R,3S)-1-benzyl-2-(hydroxymethyl)pyrrolidin-3-ol
SMILESOC[C@@H]1[C@@H](O)CCN1Cc1ccccc1
InChIInChI=1S/C12H17NO2/c14-9-11-12(15)6-7-13(11)8-10-4-2-1-3-5-10/h1-5,11-12,14-15H,6-9H2/t11-,12+/m1/s1
InChIKeyPSHUWNWXCPIDRW-NEPJUHHUSA-N
XLogP0.61
TPSA43.70 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.27
LogP ≤ 50.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(1-benzyl-3-methylpyrrolidin-2-yl)methanol
CID 78022490
[1-benzyl-3-(benzylamino)pyrrolidin-2-yl]methanol
CID 85281487
[(2S,3S)-1-benzyl-3-phenylmethoxypiperidin-2-yl]methanol
CID 122383761
1-benzyl-3-hydroxypyrrolidine-2-carboxylic acid;hydrochloride
CID 138114242
(2R,3R,4R,5S)-1-benzyl-2-(hydroxymethyl)piperidine-3,4,5-triol
CID 10131235
(2R,3R,4R)-2-(hydroxymethyl)-1-[(4-methylphenyl)methyl]piperidine-3,4-diol
CID 118986932
[(2R,3S)-1-benzyl-3-[tert-butyl(diphenyl)silyl]oxypyrrolidin-2-yl]methanol
CID 57385481
(3R,4S)-1-benzyl-4-(hydroxymethyl)piperidin-3-ol
CID 15450831
methyl (2S,3S)-1-benzyl-3-hydroxypyrrolidine-2-carboxylate
CID 57385727
(2R,3R)-2-benzyl-1-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-3-ol
CID 124814278
1-benzyl-3-(hydroxymethyl)piperidin-4-ol;methanol
CID 158581006
1-benzyl-2-methyl-3-phenylmethoxypyrrolidine
CID 68728414

Frequently Asked Questions

What is the IUPAC name of (2R,3S)-1-benzyl-2-(hydroxymethyl)pyrrolidin-3-ol?
The IUPAC name of (2R,3S)-1-benzyl-2-(hydroxymethyl)pyrrolidin-3-ol (CID 10998222) is (2R,3S)-1-benzyl-2-(hydroxymethyl)pyrrolidin-3-ol.
What is the SMILES notation for (2R,3S)-1-benzyl-2-(hydroxymethyl)pyrrolidin-3-ol?
The canonical SMILES for (2R,3S)-1-benzyl-2-(hydroxymethyl)pyrrolidin-3-ol is OC[C@@H]1[C@@H](O)CCN1Cc1ccccc1.
What is the InChIKey of (2R,3S)-1-benzyl-2-(hydroxymethyl)pyrrolidin-3-ol?
The InChIKey is PSHUWNWXCPIDRW-NEPJUHHUSA-N. The full InChI is InChI=1S/C12H17NO2/c14-9-11-12(15)6-7-13(11)8-10-4-2-1-3-5-10/h1-5,11-12,14-15H,6-9H2/t11-,12+/m1/s1.
What are the key properties of (2R,3S)-1-benzyl-2-(hydroxymethyl)pyrrolidin-3-ol?
(2R,3S)-1-benzyl-2-(hydroxymethyl)pyrrolidin-3-ol has a molecular weight of 207.27 g/mol, XLogP of 0.61, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S)-1-benzyl-2-(hydroxymethyl)pyrrolidin-3-ol is sourced from PubChem (CID 10998222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).