5-ethyl-3-(1-hydroxyethyl)-1-(2-hydroxyethyl)indole-7-carboxylic acid

C15H19NO4 — CID 83946131

IUPAC5-ethyl-3-(1-hydroxyethyl)-1-(2-hydroxyethyl)indole-7-carboxylic acid
SMILESCCc1cc(C(=O)O)c2c(c1)c(C(C)O)cn2CCO
InChIInChI=1S/C15H19NO4/c1-3-10-6-11-13(9(2)18)8-16(4-5-17)14(11)12(7-10)15(19)20/h6-9,17-18H,3-5H2,1-2H3,(H,19,20)
InChIKeyQNRMVCOXISQSQK-UHFFFAOYSA-N
MW277.32 g/mol
LogP1.95
Rot. Bonds5

About 5-ethyl-3-(1-hydroxyethyl)-1-(2-hydroxyethyl)indole-7-carboxylic acid

5-ethyl-3-(1-hydroxyethyl)-1-(2-hydroxyethyl)indole-7-carboxylic acid (PubChem CID 83946131) has the molecular formula C15H19NO4 and a molecular weight of 277.32 g/mol. Its IUPAC name is 5-ethyl-3-(1-hydroxyethyl)-1-(2-hydroxyethyl)indole-7-carboxylic acid.

Molecular Properties

Compound Name5-ethyl-3-(1-hydroxyethyl)-1-(2-hydroxyethyl)indole-7-carboxylic acid
PubChem CID83946131
Molecular FormulaC15H19NO4
Molecular Weight277.32 g/mol
Exact Mass277.13
IUPAC Name5-ethyl-3-(1-hydroxyethyl)-1-(2-hydroxyethyl)indole-7-carboxylic acid
SMILESCCc1cc(C(=O)O)c2c(c1)c(C(C)O)cn2CCO
InChIInChI=1S/C15H19NO4/c1-3-10-6-11-13(9(2)18)8-16(4-5-17)14(11)12(7-10)15(19)20/h6-9,17-18H,3-5H2,1-2H3,(H,19,20)
InChIKeyQNRMVCOXISQSQK-UHFFFAOYSA-N
XLogP1.95
TPSA82.69 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.32
LogP ≤ 51.95
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2-aminoethyl)-5-ethyl-3-propan-2-ylindole-7-carboxylic acid
CID 83946210
5-ethyl-3-(1-hydroxyethyl)-1-propan-2-ylindole-7-carboxylic acid
CID 83946162
1-butyl-3,5-diethylindole-7-carboxylic acid
CID 83946172
3-(1-hydroxyethyl)-1-(2-hydroxyethyl)-4,7-dimethylindole-5-carboxylic acid
CID 83946883
1,3,5-triethylindole-7-carboxylic acid
CID 83946119
5-ethyl-1,3-dimethylindole-7-carboxylic acid
CID 83946143
1-(3-aminopropyl)-3-(1-hydroxyethyl)indole-7-carboxylic acid
CID 83945440
3-butyl-5-ethyl-1-(2-hydroxyethyl)-2-methylindole-7-carboxylic acid
CID 83964499
5-ethyl-1-propan-2-yl-3-propylindole-7-carboxylic acid
CID 83946165
1-(2-aminoethyl)-3-(1-hydroxyethyl)-7-methylindole-5-carboxylic acid
CID 83946012
3-(2-aminoethyl)-1-(2-hydroxyethyl)-5-propan-2-ylindole-7-carboxylic acid
CID 83946236
1-(3-aminopropyl)-5-tert-butyl-3-propan-2-ylindole-7-carboxylic acid
CID 83945547

Frequently Asked Questions

What is the IUPAC name of 5-ethyl-3-(1-hydroxyethyl)-1-(2-hydroxyethyl)indole-7-carboxylic acid?
The IUPAC name of 5-ethyl-3-(1-hydroxyethyl)-1-(2-hydroxyethyl)indole-7-carboxylic acid (CID 83946131) is 5-ethyl-3-(1-hydroxyethyl)-1-(2-hydroxyethyl)indole-7-carboxylic acid.
What is the SMILES notation for 5-ethyl-3-(1-hydroxyethyl)-1-(2-hydroxyethyl)indole-7-carboxylic acid?
The canonical SMILES for 5-ethyl-3-(1-hydroxyethyl)-1-(2-hydroxyethyl)indole-7-carboxylic acid is CCc1cc(C(=O)O)c2c(c1)c(C(C)O)cn2CCO.
What is the InChIKey of 5-ethyl-3-(1-hydroxyethyl)-1-(2-hydroxyethyl)indole-7-carboxylic acid?
The InChIKey is QNRMVCOXISQSQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NO4/c1-3-10-6-11-13(9(2)18)8-16(4-5-17)14(11)12(7-10)15(19)20/h6-9,17-18H,3-5H2,1-2H3,(H,19,20).
What are the key properties of 5-ethyl-3-(1-hydroxyethyl)-1-(2-hydroxyethyl)indole-7-carboxylic acid?
5-ethyl-3-(1-hydroxyethyl)-1-(2-hydroxyethyl)indole-7-carboxylic acid has a molecular weight of 277.32 g/mol, XLogP of 1.95, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-3-(1-hydroxyethyl)-1-(2-hydroxyethyl)indole-7-carboxylic acid is sourced from PubChem (CID 83946131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).