3-[2-(dimethylamino)ethyl]-1H-indol-4-ol;2-hydroxypropanoic acid

C15H22N2O4 — CID 175999379

IUPAC3-[2-(dimethylamino)ethyl]-1H-indol-4-ol;2-hydroxypropanoic acid
SMILESCC(O)C(=O)O.CN(C)CCc1c[nH]c2cccc(O)c12
InChIInChI=1S/C12H16N2O.C3H6O3/c1-14(2)7-6-9-8-13-10-4-3-5-11(15)12(9)10;1-2(4)3(5)6/h3-5,8,13,15H,6-7H2,1-2H3;2,4H,1H3,(H,5,6)
InChIKeyKFQIAIMXQAAWDJ-UHFFFAOYSA-N
MW294.35 g/mol
LogP1.43
Rot. Bonds4

About 3-[2-(dimethylamino)ethyl]-1H-indol-4-ol;2-hydroxypropanoic acid

3-[2-(dimethylamino)ethyl]-1H-indol-4-ol;2-hydroxypropanoic acid (PubChem CID 175999379) has the molecular formula C15H22N2O4 and a molecular weight of 294.35 g/mol. Its IUPAC name is 3-[2-(dimethylamino)ethyl]-1H-indol-4-ol;2-hydroxypropanoic acid.

Molecular Properties

Compound Name3-[2-(dimethylamino)ethyl]-1H-indol-4-ol;2-hydroxypropanoic acid
PubChem CID175999379
Molecular FormulaC15H22N2O4
Molecular Weight294.35 g/mol
Exact Mass294.16
IUPAC Name3-[2-(dimethylamino)ethyl]-1H-indol-4-ol;2-hydroxypropanoic acid
SMILESCC(O)C(=O)O.CN(C)CCc1c[nH]c2cccc(O)c12
InChIInChI=1S/C12H16N2O.C3H6O3/c1-14(2)7-6-9-8-13-10-4-3-5-11(15)12(9)10;1-2(4)3(5)6/h3-5,8,13,15H,6-7H2,1-2H3;2,4H,1H3,(H,5,6)
InChIKeyKFQIAIMXQAAWDJ-UHFFFAOYSA-N
XLogP1.43
TPSA96.79 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.35
LogP ≤ 51.43
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

3-[2-[di(propan-2-yl)amino]ethyl]-1H-indol-4-ol;hydrochloride
CID 24802096
3-[2-[di(propan-2-yl)amino]ethyl]-1H-indol-4-ol;ethane
CID 163393162
[3-[2-(dimethylamino)ethyl]-1H-indol-4-yl] (2R)-2,3-dimethylbutanoate
CID 176651518
bis[3-[2-(dimethylamino)ethyl]-1H-indol-4-yl] 2,3-dihydroxybutanedioate
CID 175530702
3-[2-[3,3-difluoropropyl(methyl)amino]ethyl]-1H-indol-4-ol
CID 172624995
3-[2-(diethylamino)ethyl]-1H-indol-4-ol;hydrochloride
CID 165362448
[3-[2-(dimethylamino)ethyl]-1H-indol-4-yl] 2-aminoacetate
CID 162733971
bis[3-[2-(dimethylamino)ethyl]-1H-indol-4-yl] (2S)-2-hydroxybutanedioate
CID 175530701
[3-[2-(dimethylamino)ethyl]-1H-indol-4-yl] (3-methylbutan-2-yldisulfanyl)formate
CID 170212264
N,N-dimethyl-2-(4-propan-2-yloxy-1H-indol-3-yl)ethanamine
CID 131852240
3-[2-[propan-2-yl(prop-2-enyl)amino]ethyl]-1H-indol-4-ol
CID 166468740
1-[[3-[2-(dimethylamino)ethyl]-1H-indol-4-yl]oxy]ethylphosphonic acid
CID 156821130

Frequently Asked Questions

What is the IUPAC name of 3-[2-(dimethylamino)ethyl]-1H-indol-4-ol;2-hydroxypropanoic acid?
The IUPAC name of 3-[2-(dimethylamino)ethyl]-1H-indol-4-ol;2-hydroxypropanoic acid (CID 175999379) is 3-[2-(dimethylamino)ethyl]-1H-indol-4-ol;2-hydroxypropanoic acid.
What is the SMILES notation for 3-[2-(dimethylamino)ethyl]-1H-indol-4-ol;2-hydroxypropanoic acid?
The canonical SMILES for 3-[2-(dimethylamino)ethyl]-1H-indol-4-ol;2-hydroxypropanoic acid is CC(O)C(=O)O.CN(C)CCc1c[nH]c2cccc(O)c12.
What is the InChIKey of 3-[2-(dimethylamino)ethyl]-1H-indol-4-ol;2-hydroxypropanoic acid?
The InChIKey is KFQIAIMXQAAWDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O.C3H6O3/c1-14(2)7-6-9-8-13-10-4-3-5-11(15)12(9)10;1-2(4)3(5)6/h3-5,8,13,15H,6-7H2,1-2H3;2,4H,1H3,(H,5,6).
What are the key properties of 3-[2-(dimethylamino)ethyl]-1H-indol-4-ol;2-hydroxypropanoic acid?
3-[2-(dimethylamino)ethyl]-1H-indol-4-ol;2-hydroxypropanoic acid has a molecular weight of 294.35 g/mol, XLogP of 1.43, 4 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(dimethylamino)ethyl]-1H-indol-4-ol;2-hydroxypropanoic acid is sourced from PubChem (CID 175999379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).