3-(2-hydroxyethyl)-6-[(2-phenylcyclopropanecarbonyl)amino]-1H-indole-4-carboxylic acid

C21H20N2O4 — CID 141095810

IUPAC3-(2-hydroxyethyl)-6-[(2-phenylcyclopropanecarbonyl)amino]-1H-indole-4-carboxylic acid
SMILESO=C(O)c1cc(NC(=O)C2CC2c2ccccc2)cc2[nH]cc(CCO)c12
InChIInChI=1S/C21H20N2O4/c24-7-6-13-11-22-18-9-14(8-17(19(13)18)21(26)27)23-20(25)16-10-15(16)12-4-2-1-3-5-12/h1-5,8-9,11,15-16,22,24H,6-7,10H2,(H,23,25)(H,26,27)
InChIKeyZIUFEVRJOWAPPU-UHFFFAOYSA-N
MW364.40 g/mol
LogP3.14
Rot. Bonds6

About 3-(2-hydroxyethyl)-6-[(2-phenylcyclopropanecarbonyl)amino]-1H-indole-4-carboxylic acid

3-(2-hydroxyethyl)-6-[(2-phenylcyclopropanecarbonyl)amino]-1H-indole-4-carboxylic acid (PubChem CID 141095810) has the molecular formula C21H20N2O4 and a molecular weight of 364.40 g/mol. Its IUPAC name is 3-(2-hydroxyethyl)-6-[(2-phenylcyclopropanecarbonyl)amino]-1H-indole-4-carboxylic acid.

Molecular Properties

Compound Name3-(2-hydroxyethyl)-6-[(2-phenylcyclopropanecarbonyl)amino]-1H-indole-4-carboxylic acid
PubChem CID141095810
Molecular FormulaC21H20N2O4
Molecular Weight364.40 g/mol
Exact Mass364.14
IUPAC Name3-(2-hydroxyethyl)-6-[(2-phenylcyclopropanecarbonyl)amino]-1H-indole-4-carboxylic acid
SMILESO=C(O)c1cc(NC(=O)C2CC2c2ccccc2)cc2[nH]cc(CCO)c12
InChIInChI=1S/C21H20N2O4/c24-7-6-13-11-22-18-9-14(8-17(19(13)18)21(26)27)23-20(25)16-10-15(16)12-4-2-1-3-5-12/h1-5,8-9,11,15-16,22,24H,6-7,10H2,(H,23,25)(H,26,27)
InChIKeyZIUFEVRJOWAPPU-UHFFFAOYSA-N
XLogP3.14
TPSA102.42 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.40
LogP ≤ 53.14
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(2-hydroxyethyl)-6-[(2-phenylcyclopropanecarbonyl)amino]-1H-indole-4-carboxylic acid?
The IUPAC name of 3-(2-hydroxyethyl)-6-[(2-phenylcyclopropanecarbonyl)amino]-1H-indole-4-carboxylic acid (CID 141095810) is 3-(2-hydroxyethyl)-6-[(2-phenylcyclopropanecarbonyl)amino]-1H-indole-4-carboxylic acid.
What is the SMILES notation for 3-(2-hydroxyethyl)-6-[(2-phenylcyclopropanecarbonyl)amino]-1H-indole-4-carboxylic acid?
The canonical SMILES for 3-(2-hydroxyethyl)-6-[(2-phenylcyclopropanecarbonyl)amino]-1H-indole-4-carboxylic acid is O=C(O)c1cc(NC(=O)C2CC2c2ccccc2)cc2[nH]cc(CCO)c12.
What is the InChIKey of 3-(2-hydroxyethyl)-6-[(2-phenylcyclopropanecarbonyl)amino]-1H-indole-4-carboxylic acid?
The InChIKey is ZIUFEVRJOWAPPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N2O4/c24-7-6-13-11-22-18-9-14(8-17(19(13)18)21(26)27)23-20(25)16-10-15(16)12-4-2-1-3-5-12/h1-5,8-9,11,15-16,22,24H,6-7,10H2,(H,23,25)(H,26,27).
What are the key properties of 3-(2-hydroxyethyl)-6-[(2-phenylcyclopropanecarbonyl)amino]-1H-indole-4-carboxylic acid?
3-(2-hydroxyethyl)-6-[(2-phenylcyclopropanecarbonyl)amino]-1H-indole-4-carboxylic acid has a molecular weight of 364.40 g/mol, XLogP of 3.14, 6 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-hydroxyethyl)-6-[(2-phenylcyclopropanecarbonyl)amino]-1H-indole-4-carboxylic acid is sourced from PubChem (CID 141095810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).