5-[3-(2-aminoethyl)indol-1-yl]-2-(hydroxymethyl)oxolan-3-ol

C15H20N2O3 — CID 21202641

IUPAC5-[3-(2-aminoethyl)indol-1-yl]-2-(hydroxymethyl)oxolan-3-ol
SMILESNCCc1cn(C2CC(O)C(CO)O2)c2ccccc12
InChIInChI=1S/C15H20N2O3/c16-6-5-10-8-17(12-4-2-1-3-11(10)12)15-7-13(19)14(9-18)20-15/h1-4,8,13-15,18-19H,5-7,9,16H2
InChIKeyWNGUJGXMBZYDCH-UHFFFAOYSA-N
MW276.34 g/mol
LogP0.78
Rot. Bonds4

About 5-[3-(2-aminoethyl)indol-1-yl]-2-(hydroxymethyl)oxolan-3-ol

5-[3-(2-aminoethyl)indol-1-yl]-2-(hydroxymethyl)oxolan-3-ol (PubChem CID 21202641) has the molecular formula C15H20N2O3 and a molecular weight of 276.34 g/mol. Its IUPAC name is 5-[3-(2-aminoethyl)indol-1-yl]-2-(hydroxymethyl)oxolan-3-ol.

Molecular Properties

Compound Name5-[3-(2-aminoethyl)indol-1-yl]-2-(hydroxymethyl)oxolan-3-ol
PubChem CID21202641
Molecular FormulaC15H20N2O3
Molecular Weight276.34 g/mol
Exact Mass276.15
IUPAC Name5-[3-(2-aminoethyl)indol-1-yl]-2-(hydroxymethyl)oxolan-3-ol
SMILESNCCc1cn(C2CC(O)C(CO)O2)c2ccccc12
InChIInChI=1S/C15H20N2O3/c16-6-5-10-8-17(12-4-2-1-3-11(10)12)15-7-13(19)14(9-18)20-15/h1-4,8,13-15,18-19H,5-7,9,16H2
InChIKeyWNGUJGXMBZYDCH-UHFFFAOYSA-N
XLogP0.78
TPSA80.64 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.34
LogP ≤ 50.78
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

2-(1-cyclopropylindol-3-yl)ethanamine
CID 105453045
4-amino-5-benzyl-1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidin-2-one
CID 10519531
(2R,3S,5R)-2-(hydroxymethyl)-5-(4-nitroindol-1-yl)oxolan-3-ol
CID 14081551
(2R,3S,5R)-2-(hydroxymethyl)-5-indolo[3,2-b]quinoxalin-6-yloxolan-3-ol
CID 101424265
4-(hydroxyamino)-1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-(hydroxymethyl)pyrimidin-2-one
CID 10540173
5-(2-bromoethyl)-1-[4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidine-2,4-dione
CID 22211374
1-[(2R,4R,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-(phenylmethoxymethyl)pyrimidine-2,4-dione
CID 59189483
2-(1-cyclopropylindol-3-yl)ethanol
CID 22372063
5-(2-hydroxyethyl)-1-[(2R,4R,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidine-2,4-dione
CID 71749030
(2R,3S,5R)-5-(2-aminopyrrolo[2,3-h]quinazolin-7-yl)-2-(hydroxymethyl)oxolan-3-ol
CID 101366468
N-[1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-2,4-dioxopyrimidin-5-yl]-3-naphthalen-1-ylpropanamide
CID 175278542
4-amino-1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-phenylpyrimidin-2-one
CID 5274196

Frequently Asked Questions

What is the IUPAC name of 5-[3-(2-aminoethyl)indol-1-yl]-2-(hydroxymethyl)oxolan-3-ol?
The IUPAC name of 5-[3-(2-aminoethyl)indol-1-yl]-2-(hydroxymethyl)oxolan-3-ol (CID 21202641) is 5-[3-(2-aminoethyl)indol-1-yl]-2-(hydroxymethyl)oxolan-3-ol.
What is the SMILES notation for 5-[3-(2-aminoethyl)indol-1-yl]-2-(hydroxymethyl)oxolan-3-ol?
The canonical SMILES for 5-[3-(2-aminoethyl)indol-1-yl]-2-(hydroxymethyl)oxolan-3-ol is NCCc1cn(C2CC(O)C(CO)O2)c2ccccc12.
What is the InChIKey of 5-[3-(2-aminoethyl)indol-1-yl]-2-(hydroxymethyl)oxolan-3-ol?
The InChIKey is WNGUJGXMBZYDCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O3/c16-6-5-10-8-17(12-4-2-1-3-11(10)12)15-7-13(19)14(9-18)20-15/h1-4,8,13-15,18-19H,5-7,9,16H2.
What are the key properties of 5-[3-(2-aminoethyl)indol-1-yl]-2-(hydroxymethyl)oxolan-3-ol?
5-[3-(2-aminoethyl)indol-1-yl]-2-(hydroxymethyl)oxolan-3-ol has a molecular weight of 276.34 g/mol, XLogP of 0.78, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-(2-aminoethyl)indol-1-yl]-2-(hydroxymethyl)oxolan-3-ol is sourced from PubChem (CID 21202641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).