3-acetyl-1-(2-hydroxyethyl)-2-methyl-5-propan-2-ylindole-7-carboxylic acid

C17H21NO4 — CID 83947302

IUPAC3-acetyl-1-(2-hydroxyethyl)-2-methyl-5-propan-2-ylindole-7-carboxylic acid
SMILESCC(=O)c1c(C)n(CCO)c2c(C(=O)O)cc(C(C)C)cc12
InChIInChI=1S/C17H21NO4/c1-9(2)12-7-13-15(11(4)20)10(3)18(5-6-19)16(13)14(8-12)17(21)22/h7-9,19H,5-6H2,1-4H3,(H,21,22)
InChIKeyOGKMFDWMBKNUGA-UHFFFAOYSA-N
MW303.36 g/mol
LogP2.97
Rot. Bonds5

About 3-acetyl-1-(2-hydroxyethyl)-2-methyl-5-propan-2-ylindole-7-carboxylic acid

3-acetyl-1-(2-hydroxyethyl)-2-methyl-5-propan-2-ylindole-7-carboxylic acid (PubChem CID 83947302) has the molecular formula C17H21NO4 and a molecular weight of 303.36 g/mol. Its IUPAC name is 3-acetyl-1-(2-hydroxyethyl)-2-methyl-5-propan-2-ylindole-7-carboxylic acid.

Molecular Properties

Compound Name3-acetyl-1-(2-hydroxyethyl)-2-methyl-5-propan-2-ylindole-7-carboxylic acid
PubChem CID83947302
Molecular FormulaC17H21NO4
Molecular Weight303.36 g/mol
Exact Mass303.15
IUPAC Name3-acetyl-1-(2-hydroxyethyl)-2-methyl-5-propan-2-ylindole-7-carboxylic acid
SMILESCC(=O)c1c(C)n(CCO)c2c(C(=O)O)cc(C(C)C)cc12
InChIInChI=1S/C17H21NO4/c1-9(2)12-7-13-15(11(4)20)10(3)18(5-6-19)16(13)14(8-12)17(21)22/h7-9,19H,5-6H2,1-4H3,(H,21,22)
InChIKeyOGKMFDWMBKNUGA-UHFFFAOYSA-N
XLogP2.97
TPSA79.53 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.36
LogP ≤ 52.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 3-acetyl-1-(2-hydroxyethyl)-2-methyl-5-propan-2-ylindole-7-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(2-aminoethyl)-2,3-dimethyl-5-propan-2-ylindole-7-carboxylic acid
CID 83964676
3-acetyl-5-tert-butyl-2-methyl-1-propylindole-7-carboxylic acid
CID 83947070
1-(3-aminopropyl)-3-butyl-2-methyl-5-propan-2-ylindole-7-carboxylic acid
CID 83964669
3-(2-aminoethyl)-1-(2-hydroxyethyl)-5-propan-2-ylindole-7-carboxylic acid
CID 83946236
1-(3-hydroxypropyl)-2,5-dimethyl-3-propan-2-ylindole-7-carboxylic acid
CID 83964458
2-methyl-1,3,5-tri(propan-2-yl)indole-7-carboxylic acid
CID 83964639
3-butyl-1-(3-hydroxypropyl)-5-propan-2-ylindole-7-carboxylic acid
CID 83946285
3-butyl-5-ethyl-1-(2-hydroxyethyl)-2-methylindole-7-carboxylic acid
CID 83964499
1-(1,2-dimethyl-5-propan-2-ylindol-3-yl)ethanone
CID 82494938
2,3,5-trimethyl-1-propylindole-7-carboxylic acid
CID 83964415
7-tert-butyl-1-(2-hydroxyethyl)-2-methyl-3-propan-2-ylindole-5-carboxylic acid
CID 83963791
3-acetyl-5-propan-2-yl-1H-indole-7-carboxylic acid
CID 83948065

Frequently Asked Questions

What is the IUPAC name of 3-acetyl-1-(2-hydroxyethyl)-2-methyl-5-propan-2-ylindole-7-carboxylic acid?
The IUPAC name of 3-acetyl-1-(2-hydroxyethyl)-2-methyl-5-propan-2-ylindole-7-carboxylic acid (CID 83947302) is 3-acetyl-1-(2-hydroxyethyl)-2-methyl-5-propan-2-ylindole-7-carboxylic acid.
What is the SMILES notation for 3-acetyl-1-(2-hydroxyethyl)-2-methyl-5-propan-2-ylindole-7-carboxylic acid?
The canonical SMILES for 3-acetyl-1-(2-hydroxyethyl)-2-methyl-5-propan-2-ylindole-7-carboxylic acid is CC(=O)c1c(C)n(CCO)c2c(C(=O)O)cc(C(C)C)cc12.
What is the InChIKey of 3-acetyl-1-(2-hydroxyethyl)-2-methyl-5-propan-2-ylindole-7-carboxylic acid?
The InChIKey is OGKMFDWMBKNUGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21NO4/c1-9(2)12-7-13-15(11(4)20)10(3)18(5-6-19)16(13)14(8-12)17(21)22/h7-9,19H,5-6H2,1-4H3,(H,21,22).
What are the key properties of 3-acetyl-1-(2-hydroxyethyl)-2-methyl-5-propan-2-ylindole-7-carboxylic acid?
3-acetyl-1-(2-hydroxyethyl)-2-methyl-5-propan-2-ylindole-7-carboxylic acid has a molecular weight of 303.36 g/mol, XLogP of 2.97, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-acetyl-1-(2-hydroxyethyl)-2-methyl-5-propan-2-ylindole-7-carboxylic acid is sourced from PubChem (CID 83947302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).