(2S,3R,4R,5R)-2-(hydroxymethyl)-5-phenylpyrrolidin-1-ium-3,4-diol

C11H16NO3+ — CID 135009649

IUPAC(2S,3R,4R,5R)-2-(hydroxymethyl)-5-phenylpyrrolidin-1-ium-3,4-diol
SMILESOC[C@@H]1[NH2+][C@H](c2ccccc2)[C@@H](O)[C@@H]1O
InChIInChI=1S/C11H15NO3/c13-6-8-10(14)11(15)9(12-8)7-4-2-1-3-5-7/h1-5,8-15H,6H2/p+1/t8-,9+,10+,11+/m0/s1
InChIKeyVXZYWQYETUQRMH-LNFKQOIKSA-O
MW210.25 g/mol
LogP-1.61
Rot. Bonds2

About (2S,3R,4R,5R)-2-(hydroxymethyl)-5-phenylpyrrolidin-1-ium-3,4-diol

(2S,3R,4R,5R)-2-(hydroxymethyl)-5-phenylpyrrolidin-1-ium-3,4-diol (PubChem CID 135009649) has the molecular formula C11H16NO3+ and a molecular weight of 210.25 g/mol. Its IUPAC name is (2S,3R,4R,5R)-2-(hydroxymethyl)-5-phenylpyrrolidin-1-ium-3,4-diol.

Molecular Properties

Compound Name(2S,3R,4R,5R)-2-(hydroxymethyl)-5-phenylpyrrolidin-1-ium-3,4-diol
PubChem CID135009649
Molecular FormulaC11H16NO3+
Molecular Weight210.25 g/mol
Exact Mass210.11
IUPAC Name(2S,3R,4R,5R)-2-(hydroxymethyl)-5-phenylpyrrolidin-1-ium-3,4-diol
SMILESOC[C@@H]1[NH2+][C@H](c2ccccc2)[C@@H](O)[C@@H]1O
InChIInChI=1S/C11H15NO3/c13-6-8-10(14)11(15)9(12-8)7-4-2-1-3-5-7/h1-5,8-15H,6H2/p+1/t8-,9+,10+,11+/m0/s1
InChIKeyVXZYWQYETUQRMH-LNFKQOIKSA-O
XLogP-1.61
TPSA77.30 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.25
LogP ≤ 5-1.61
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

Analyze (2S,3R,4R,5R)-2-(hydroxymethyl)-5-phenylpyrrolidin-1-ium-3,4-diol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2S,3S,4R,5R,6S)-3-methyl-2,6-diphenyl-5-propylpiperidin-1-ium-4-ol
CID 7310293
2,3-diphenylcyclopropan-1-ol
CID 15400659
[5-(hydroxymethyl)-2-phenyl-1,3-dithiolan-4-yl]methanol
CID 151184902
(3S,6S)-2-(hydroxymethyl)-6-phenyloxane-3,4,5-triol
CID 134968723
(2R,3S,4S,5R)-2-(hydroxymethyl)-5-methylpyrrolidin-1-ium-3,4-diol chloride
CID 11480856
(2R,3S,4S)-2-(hydroxymethyl)-4-phenyloxolan-3-ol
CID 130883145
1-benzyl-2,5-bis(hydroxymethyl)pyrrolidine-3,4-diol
CID 67340937
(2R,3R)-2-(hydroxymethyl)-5-methyl-4-phenyloxolan-3-ol
CID 70795418
2,6-diphenyl-3-propylpiperidin-1-ium-4-ol
CID 3611514
[(4S,5S)-5-(hydroxymethyl)-2-phenyl-1,3-dioxolan-4-yl]methanol
CID 719727
(1R,2R,3S,6S)-3,6-diphenylcyclohexane-1,2-diol
CID 124792855
(1R,2R,3R,6S)-3,6-diphenylcyclohexane-1,2-diol
CID 98598015

Frequently Asked Questions

What is the IUPAC name of (2S,3R,4R,5R)-2-(hydroxymethyl)-5-phenylpyrrolidin-1-ium-3,4-diol?
The IUPAC name of (2S,3R,4R,5R)-2-(hydroxymethyl)-5-phenylpyrrolidin-1-ium-3,4-diol (CID 135009649) is (2S,3R,4R,5R)-2-(hydroxymethyl)-5-phenylpyrrolidin-1-ium-3,4-diol.
What is the SMILES notation for (2S,3R,4R,5R)-2-(hydroxymethyl)-5-phenylpyrrolidin-1-ium-3,4-diol?
The canonical SMILES for (2S,3R,4R,5R)-2-(hydroxymethyl)-5-phenylpyrrolidin-1-ium-3,4-diol is OC[C@@H]1[NH2+][C@H](c2ccccc2)[C@@H](O)[C@@H]1O.
What is the InChIKey of (2S,3R,4R,5R)-2-(hydroxymethyl)-5-phenylpyrrolidin-1-ium-3,4-diol?
The InChIKey is VXZYWQYETUQRMH-LNFKQOIKSA-O. The full InChI is InChI=1S/C11H15NO3/c13-6-8-10(14)11(15)9(12-8)7-4-2-1-3-5-7/h1-5,8-15H,6H2/p+1/t8-,9+,10+,11+/m0/s1.
What are the key properties of (2S,3R,4R,5R)-2-(hydroxymethyl)-5-phenylpyrrolidin-1-ium-3,4-diol?
(2S,3R,4R,5R)-2-(hydroxymethyl)-5-phenylpyrrolidin-1-ium-3,4-diol has a molecular weight of 210.25 g/mol, XLogP of -1.61, 2 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3R,4R,5R)-2-(hydroxymethyl)-5-phenylpyrrolidin-1-ium-3,4-diol is sourced from PubChem (CID 135009649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).