1-(2-hydroxyethyl)-3-methylindole-5-carboxylic acid

C12H13NO3 — CID 83963535

IUPAC1-(2-hydroxyethyl)-3-methylindole-5-carboxylic acid
SMILESCc1cn(CCO)c2ccc(C(=O)O)cc12
InChIInChI=1S/C12H13NO3/c1-8-7-13(4-5-14)11-3-2-9(12(15)16)6-10(8)11/h2-3,6-7,14H,4-5H2,1H3,(H,15,16)
InChIKeyWDXJKQPRIZABPG-UHFFFAOYSA-N
MW219.24 g/mol
LogP1.64
Rot. Bonds3

About 1-(2-hydroxyethyl)-3-methylindole-5-carboxylic acid

1-(2-hydroxyethyl)-3-methylindole-5-carboxylic acid (PubChem CID 83963535) has the molecular formula C12H13NO3 and a molecular weight of 219.24 g/mol. Its IUPAC name is 1-(2-hydroxyethyl)-3-methylindole-5-carboxylic acid.

Molecular Properties

Compound Name1-(2-hydroxyethyl)-3-methylindole-5-carboxylic acid
PubChem CID83963535
Molecular FormulaC12H13NO3
Molecular Weight219.24 g/mol
Exact Mass219.09
IUPAC Name1-(2-hydroxyethyl)-3-methylindole-5-carboxylic acid
SMILESCc1cn(CCO)c2ccc(C(=O)O)cc12
InChIInChI=1S/C12H13NO3/c1-8-7-13(4-5-14)11-3-2-9(12(15)16)6-10(8)11/h2-3,6-7,14H,4-5H2,1H3,(H,15,16)
InChIKeyWDXJKQPRIZABPG-UHFFFAOYSA-N
XLogP1.64
TPSA62.46 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.24
LogP ≤ 51.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-methyl-1-propylindole-5-carboxylic acid
CID 83945011
1-butyl-3-methylindole-5-carboxylic acid
CID 83946820
2-(5-tert-butyl-3-methylindol-1-yl)ethanol
CID 83945063
1-(2-aminoethyl)-3-methylindole-6-carboxylic acid
CID 83946650
1-(2-hydroxyethyl)-3-(2-pyrrolidin-1-ylethyl)indole-5-carboxylic acid
CID 83947008
1-(2-cyclohexylethyl)-3-methylindole-6-carboxylic acid
CID 56631463
1-(2-hydroxyethyl)-5,6-dimethylindole-3-carboxylic acid
CID 83947394
3-(5-bromo-3-methylindol-1-yl)propanoic acid
CID 82502249
3-(1-hydroxyethyl)-1-propylindole-5-carboxylic acid
CID 83945010
1-(2-hydroxyethyl)-3-(3-hydroxypropyl)-2-methylindole-5-carboxylic acid
CID 83944682
9-[6-(3,6-dicarboxycarbazol-9-yl)hexyl]carbazole-3,6-dicarboxylic acid
CID 53342508
1-(2-methoxyethyl)-3-propan-2-ylindole-5-carboxylic acid
CID 145363422

Frequently Asked Questions

What is the IUPAC name of 1-(2-hydroxyethyl)-3-methylindole-5-carboxylic acid?
The IUPAC name of 1-(2-hydroxyethyl)-3-methylindole-5-carboxylic acid (CID 83963535) is 1-(2-hydroxyethyl)-3-methylindole-5-carboxylic acid.
What is the SMILES notation for 1-(2-hydroxyethyl)-3-methylindole-5-carboxylic acid?
The canonical SMILES for 1-(2-hydroxyethyl)-3-methylindole-5-carboxylic acid is Cc1cn(CCO)c2ccc(C(=O)O)cc12.
What is the InChIKey of 1-(2-hydroxyethyl)-3-methylindole-5-carboxylic acid?
The InChIKey is WDXJKQPRIZABPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13NO3/c1-8-7-13(4-5-14)11-3-2-9(12(15)16)6-10(8)11/h2-3,6-7,14H,4-5H2,1H3,(H,15,16).
What are the key properties of 1-(2-hydroxyethyl)-3-methylindole-5-carboxylic acid?
1-(2-hydroxyethyl)-3-methylindole-5-carboxylic acid has a molecular weight of 219.24 g/mol, XLogP of 1.64, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-hydroxyethyl)-3-methylindole-5-carboxylic acid is sourced from PubChem (CID 83963535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).