2-(hydroxymethyl)-1-[2-(1H-indol-3-yl)ethyl]pyrrolidine-3,4-diol

C15H20N2O3 — CID 75971095

IUPAC2-(hydroxymethyl)-1-[2-(1H-indol-3-yl)ethyl]pyrrolidine-3,4-diol
SMILESOCC1C(O)C(O)CN1CCc1c[nH]c2ccccc12
InChIInChI=1S/C15H20N2O3/c18-9-13-15(20)14(19)8-17(13)6-5-10-7-16-12-4-2-1-3-11(10)12/h1-4,7,13-16,18-20H,5-6,8-9H2
InChIKeyYQBPPZUZNCMKQN-UHFFFAOYSA-N
MW276.34 g/mol
LogP0.11
Rot. Bonds4

About 2-(hydroxymethyl)-1-[2-(1H-indol-3-yl)ethyl]pyrrolidine-3,4-diol

2-(hydroxymethyl)-1-[2-(1H-indol-3-yl)ethyl]pyrrolidine-3,4-diol (PubChem CID 75971095) has the molecular formula C15H20N2O3 and a molecular weight of 276.34 g/mol. Its IUPAC name is 2-(hydroxymethyl)-1-[2-(1H-indol-3-yl)ethyl]pyrrolidine-3,4-diol.

Molecular Properties

Compound Name2-(hydroxymethyl)-1-[2-(1H-indol-3-yl)ethyl]pyrrolidine-3,4-diol
PubChem CID75971095
Molecular FormulaC15H20N2O3
Molecular Weight276.34 g/mol
Exact Mass276.15
IUPAC Name2-(hydroxymethyl)-1-[2-(1H-indol-3-yl)ethyl]pyrrolidine-3,4-diol
SMILESOCC1C(O)C(O)CN1CCc1c[nH]c2ccccc12
InChIInChI=1S/C15H20N2O3/c18-9-13-15(20)14(19)8-17(13)6-5-10-7-16-12-4-2-1-3-11(10)12/h1-4,7,13-16,18-20H,5-6,8-9H2
InChIKeyYQBPPZUZNCMKQN-UHFFFAOYSA-N
XLogP0.11
TPSA79.72 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.34
LogP ≤ 50.11
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Analyze 2-(hydroxymethyl)-1-[2-(1H-indol-3-yl)ethyl]pyrrolidine-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

3-(1H-indol-3-yl)propane-1,1-diol
CID 22219738
(2S,3R,4R,5S)-2-(hydroxymethyl)-1-[2-(2-methylphenyl)ethyl]piperidine-3,4,5-triol
CID 157039383
(2S,3R,4R,5S)-1-[2-(2-fluorophenyl)ethyl]-2-(hydroxymethyl)piperidine-3,4,5-triol
CID 155286685
1-[2-(1H-indol-3-yl)ethyl]piperidin-3-ol
CID 3054781
3-(2-pyrrolidin-1-ylethyl)-1H-indole
CID 26393
(2R,3R,4R,5S)-1-[2-(2,3-difluorophenyl)ethyl]-2-(hydroxymethyl)piperidine-3,4,5-triol
CID 157039442
1-[2-(1H-indol-3-yl)ethyl]pyrrolidine-2-carbonitrile
CID 171079929
3-[4-(1H-indol-3-yl)butyl]-1H-indole
CID 57060044
propan-2-yl (2S)-1-[2-(1H-indol-3-yl)ethyl]pyrrolidine-2-carboxylate
CID 171080037
ethane;methyl 1-[2-(1H-indol-3-yl)ethyl]pyrrolidine-2-carboxylate;molecular hydrogen
CID 171080006
1-(3,4-dihydroxypyrrolidin-1-yl)-2-(1H-indol-3-yl)ethanone
CID 106671580
[(3S,4S)-4-hydroxy-1-[2-(1H-indol-3-yl)ethyl]piperidin-3-yl] methyl carbonate
CID 70459591

Frequently Asked Questions

What is the IUPAC name of 2-(hydroxymethyl)-1-[2-(1H-indol-3-yl)ethyl]pyrrolidine-3,4-diol?
The IUPAC name of 2-(hydroxymethyl)-1-[2-(1H-indol-3-yl)ethyl]pyrrolidine-3,4-diol (CID 75971095) is 2-(hydroxymethyl)-1-[2-(1H-indol-3-yl)ethyl]pyrrolidine-3,4-diol.
What is the SMILES notation for 2-(hydroxymethyl)-1-[2-(1H-indol-3-yl)ethyl]pyrrolidine-3,4-diol?
The canonical SMILES for 2-(hydroxymethyl)-1-[2-(1H-indol-3-yl)ethyl]pyrrolidine-3,4-diol is OCC1C(O)C(O)CN1CCc1c[nH]c2ccccc12.
What is the InChIKey of 2-(hydroxymethyl)-1-[2-(1H-indol-3-yl)ethyl]pyrrolidine-3,4-diol?
The InChIKey is YQBPPZUZNCMKQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O3/c18-9-13-15(20)14(19)8-17(13)6-5-10-7-16-12-4-2-1-3-11(10)12/h1-4,7,13-16,18-20H,5-6,8-9H2.
What are the key properties of 2-(hydroxymethyl)-1-[2-(1H-indol-3-yl)ethyl]pyrrolidine-3,4-diol?
2-(hydroxymethyl)-1-[2-(1H-indol-3-yl)ethyl]pyrrolidine-3,4-diol has a molecular weight of 276.34 g/mol, XLogP of 0.11, 4 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(hydroxymethyl)-1-[2-(1H-indol-3-yl)ethyl]pyrrolidine-3,4-diol is sourced from PubChem (CID 75971095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).