3-amino-1-(1H-indol-6-yl)propane-1,2-diol

C11H14N2O2 — CID 170828204

IUPAC3-amino-1-(1H-indol-6-yl)propane-1,2-diol
SMILESNCC(O)C(O)c1ccc2cc[nH]c2c1
InChIInChI=1S/C11H14N2O2/c12-6-10(14)11(15)8-2-1-7-3-4-13-9(7)5-8/h1-5,10-11,13-15H,6,12H2
InChIKeyLCLNOQOOBPPUPF-UHFFFAOYSA-N
MW206.24 g/mol
LogP0.52
Rot. Bonds3

About 3-amino-1-(1H-indol-6-yl)propane-1,2-diol

3-amino-1-(1H-indol-6-yl)propane-1,2-diol (PubChem CID 170828204) has the molecular formula C11H14N2O2 and a molecular weight of 206.24 g/mol. Its IUPAC name is 3-amino-1-(1H-indol-6-yl)propane-1,2-diol.

Molecular Properties

Compound Name3-amino-1-(1H-indol-6-yl)propane-1,2-diol
PubChem CID170828204
Molecular FormulaC11H14N2O2
Molecular Weight206.24 g/mol
Exact Mass206.11
IUPAC Name3-amino-1-(1H-indol-6-yl)propane-1,2-diol
SMILESNCC(O)C(O)c1ccc2cc[nH]c2c1
InChIInChI=1S/C11H14N2O2/c12-6-10(14)11(15)8-2-1-7-3-4-13-9(7)5-8/h1-5,10-11,13-15H,6,12H2
InChIKeyLCLNOQOOBPPUPF-UHFFFAOYSA-N
XLogP0.52
TPSA82.27 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.24
LogP ≤ 50.52
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

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Related Compounds

4-chloro-1-(1H-indol-6-yl)butane-1,2-diol
CID 171893972
methyl 3,4-dihydroxy-4-(1H-indol-6-yl)butanoate
CID 171895762
3-amino-1-(1H-pyrrolo[3,2-b]pyridin-6-yl)propane-1,2-diol
CID 170828191
1-(1H-indol-6-yl)propane-1,3-diamine
CID 131197541
(1S,2R)-1-amino-1-(1H-indol-6-yl)pentan-2-ol
CID 171268293
(1R,2S)-1-amino-1-(1H-indol-6-yl)pentan-2-ol
CID 171262620
(1S,2R)-1-amino-1-(1H-indol-6-yl)propan-2-ol
CID 131064485
3-(1H-indol-6-yl)butan-1-amine
CID 82602760
(1R,2S)-1-amino-1-(1H-indol-6-yl)hexan-2-ol;hydrochloride
CID 171262623
(1S)-3-fluoro-1-(1H-indol-6-yl)propan-1-amine;hydrochloride
CID 171225183
(1S)-2,2-difluoro-1-(1H-indol-6-yl)ethanamine
CID 130708718
(1R,2S)-2-amino-1-cyclopropyl-2-(1H-indol-6-yl)ethanol;hydrochloride
CID 171268278

Frequently Asked Questions

What is the IUPAC name of 3-amino-1-(1H-indol-6-yl)propane-1,2-diol?
The IUPAC name of 3-amino-1-(1H-indol-6-yl)propane-1,2-diol (CID 170828204) is 3-amino-1-(1H-indol-6-yl)propane-1,2-diol.
What is the SMILES notation for 3-amino-1-(1H-indol-6-yl)propane-1,2-diol?
The canonical SMILES for 3-amino-1-(1H-indol-6-yl)propane-1,2-diol is NCC(O)C(O)c1ccc2cc[nH]c2c1.
What is the InChIKey of 3-amino-1-(1H-indol-6-yl)propane-1,2-diol?
The InChIKey is LCLNOQOOBPPUPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2O2/c12-6-10(14)11(15)8-2-1-7-3-4-13-9(7)5-8/h1-5,10-11,13-15H,6,12H2.
What are the key properties of 3-amino-1-(1H-indol-6-yl)propane-1,2-diol?
3-amino-1-(1H-indol-6-yl)propane-1,2-diol has a molecular weight of 206.24 g/mol, XLogP of 0.52, 3 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-1-(1H-indol-6-yl)propane-1,2-diol is sourced from PubChem (CID 170828204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).