1-(2-hydroxyethyl)-6-methyl-3-(2-pyrrolidin-1-ylethyl)indole-5-carboxylic acid

C18H24N2O3 — CID 83946955

IUPAC1-(2-hydroxyethyl)-6-methyl-3-(2-pyrrolidin-1-ylethyl)indole-5-carboxylic acid
SMILESCc1cc2c(cc1C(=O)O)c(CCN1CCCC1)cn2CCO
InChIInChI=1S/C18H24N2O3/c1-13-10-17-16(11-15(13)18(22)23)14(12-20(17)8-9-21)4-7-19-5-2-3-6-19/h10-12,21H,2-9H2,1H3,(H,22,23)
InChIKeyNYHWBEYNPVSAJJ-UHFFFAOYSA-N
MW316.40 g/mol
LogP2.28
Rot. Bonds6

About 1-(2-hydroxyethyl)-6-methyl-3-(2-pyrrolidin-1-ylethyl)indole-5-carboxylic acid

1-(2-hydroxyethyl)-6-methyl-3-(2-pyrrolidin-1-ylethyl)indole-5-carboxylic acid (PubChem CID 83946955) has the molecular formula C18H24N2O3 and a molecular weight of 316.40 g/mol. Its IUPAC name is 1-(2-hydroxyethyl)-6-methyl-3-(2-pyrrolidin-1-ylethyl)indole-5-carboxylic acid.

Molecular Properties

Compound Name1-(2-hydroxyethyl)-6-methyl-3-(2-pyrrolidin-1-ylethyl)indole-5-carboxylic acid
PubChem CID83946955
Molecular FormulaC18H24N2O3
Molecular Weight316.40 g/mol
Exact Mass316.18
IUPAC Name1-(2-hydroxyethyl)-6-methyl-3-(2-pyrrolidin-1-ylethyl)indole-5-carboxylic acid
SMILESCc1cc2c(cc1C(=O)O)c(CCN1CCCC1)cn2CCO
InChIInChI=1S/C18H24N2O3/c1-13-10-17-16(11-15(13)18(22)23)14(12-20(17)8-9-21)4-7-19-5-2-3-6-19/h10-12,21H,2-9H2,1H3,(H,22,23)
InChIKeyNYHWBEYNPVSAJJ-UHFFFAOYSA-N
XLogP2.28
TPSA65.70 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.40
LogP ≤ 52.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(3-hydroxypropyl)-6-methyl-3-(2-pyrrolidin-1-ylethyl)indole-5-carboxylic acid
CID 83946979
1-butyl-5-methyl-3-(2-pyrrolidin-1-ylethyl)indole-6-carboxylic acid
CID 83947013
3-butyl-1-(2-hydroxyethyl)-6-methylindole-5-carboxylic acid
CID 83963392
3-(3-aminopropyl)-1-(2-hydroxyethyl)-6-methylindole-5-carboxylic acid
CID 83963394
1-(2-hydroxyethyl)-3-(2-pyrrolidin-1-ylethyl)indole-5-carboxylic acid
CID 83947008
2-[5-methyl-3-(2-pyrrolidin-1-ylethyl)indol-1-yl]ethanol
CID 112719753
1-(2-hydroxyethyl)-5,6-dimethylindole-3-carboxylic acid
CID 83947394
1-(2-hydroxyethyl)-3-(2-pyrrolidin-1-ylethyl)indole-4-carboxylic acid
CID 83947820
2-[5-tert-butyl-3-(2-pyrrolidin-1-ylethyl)indol-1-yl]ethanol
CID 112719775
2-[6-chloro-5-methyl-3-(2-pyrrolidin-1-ylethyl)indol-1-yl]acetic acid
CID 83947423
1-propyl-3-(2-pyrrolidin-1-ylethyl)indole-6-carboxylic acid
CID 83948084
7-ethyl-1-(2-hydroxyethyl)-3-(2-pyrrolidin-1-ylethyl)indole-5-carboxylic acid
CID 83947876

Frequently Asked Questions

What is the IUPAC name of 1-(2-hydroxyethyl)-6-methyl-3-(2-pyrrolidin-1-ylethyl)indole-5-carboxylic acid?
The IUPAC name of 1-(2-hydroxyethyl)-6-methyl-3-(2-pyrrolidin-1-ylethyl)indole-5-carboxylic acid (CID 83946955) is 1-(2-hydroxyethyl)-6-methyl-3-(2-pyrrolidin-1-ylethyl)indole-5-carboxylic acid.
What is the SMILES notation for 1-(2-hydroxyethyl)-6-methyl-3-(2-pyrrolidin-1-ylethyl)indole-5-carboxylic acid?
The canonical SMILES for 1-(2-hydroxyethyl)-6-methyl-3-(2-pyrrolidin-1-ylethyl)indole-5-carboxylic acid is Cc1cc2c(cc1C(=O)O)c(CCN1CCCC1)cn2CCO.
What is the InChIKey of 1-(2-hydroxyethyl)-6-methyl-3-(2-pyrrolidin-1-ylethyl)indole-5-carboxylic acid?
The InChIKey is NYHWBEYNPVSAJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2O3/c1-13-10-17-16(11-15(13)18(22)23)14(12-20(17)8-9-21)4-7-19-5-2-3-6-19/h10-12,21H,2-9H2,1H3,(H,22,23).
What are the key properties of 1-(2-hydroxyethyl)-6-methyl-3-(2-pyrrolidin-1-ylethyl)indole-5-carboxylic acid?
1-(2-hydroxyethyl)-6-methyl-3-(2-pyrrolidin-1-ylethyl)indole-5-carboxylic acid has a molecular weight of 316.40 g/mol, XLogP of 2.28, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-hydroxyethyl)-6-methyl-3-(2-pyrrolidin-1-ylethyl)indole-5-carboxylic acid is sourced from PubChem (CID 83946955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).