2-(1-ethyl-7-methylindol-2-yl)-2-methylpropanoic acid

C15H19NO2 — CID 117196706

IUPAC2-(1-ethyl-7-methylindol-2-yl)-2-methylpropanoic acid
SMILESCCn1c(C(C)(C)C(=O)O)cc2cccc(C)c21
InChIInChI=1S/C15H19NO2/c1-5-16-12(15(3,4)14(17)18)9-11-8-6-7-10(2)13(11)16/h6-9H,5H2,1-4H3,(H,17,18)
InChIKeyQLVBOVLSOPNHDS-UHFFFAOYSA-N
MW245.32 g/mol
LogP3.33
Rot. Bonds3

About 2-(1-ethyl-7-methylindol-2-yl)-2-methylpropanoic acid

2-(1-ethyl-7-methylindol-2-yl)-2-methylpropanoic acid (PubChem CID 117196706) has the molecular formula C15H19NO2 and a molecular weight of 245.32 g/mol. Its IUPAC name is 2-(1-ethyl-7-methylindol-2-yl)-2-methylpropanoic acid.

Molecular Properties

Compound Name2-(1-ethyl-7-methylindol-2-yl)-2-methylpropanoic acid
PubChem CID117196706
Molecular FormulaC15H19NO2
Molecular Weight245.32 g/mol
Exact Mass245.14
IUPAC Name2-(1-ethyl-7-methylindol-2-yl)-2-methylpropanoic acid
SMILESCCn1c(C(C)(C)C(=O)O)cc2cccc(C)c21
InChIInChI=1S/C15H19NO2/c1-5-16-12(15(3,4)14(17)18)9-11-8-6-7-10(2)13(11)16/h6-9H,5H2,1-4H3,(H,17,18)
InChIKeyQLVBOVLSOPNHDS-UHFFFAOYSA-N
XLogP3.33
TPSA42.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.32
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(1-ethyl-7-hydroxyindol-2-yl)-2-methylpropanoic acid
CID 117197219
2-(7-chloro-1-ethylindol-2-yl)-2-methylpropanoic acid
CID 117196983
2-(1-ethyl-2-methylindol-7-yl)-2-methylpropanoic acid
CID 117205210
2-(1-ethyl-6-hydroxyindol-2-yl)-2-methylpropanoic acid
CID 117122945
3-(1-ethyl-7-methylindol-2-yl)-2-methylpropanoic acid
CID 117196710
2-methyl-2-[1-methyl-7-(trifluoromethyl)indol-2-yl]propanoic acid
CID 117196565
2-(1,2-dimethylindol-7-yl)-2-methylpropanoic acid
CID 117205205
1-(1-ethyl-7-methylindol-2-yl)propan-2-amine
CID 117196697
1-(1-ethyl-2-methylindol-7-yl)propan-2-one
CID 117205111
2-(8-methyl-2-oxoquinolin-1-yl)acetic acid
CID 83521641
1-[(3-fluorophenyl)methyl]-7-methylindole-2-carboxylic acid
CID 83968451
2-(1-ethyl-2-methylbenzimidazol-5-yl)-2-methylpropanoic acid
CID 82498102

Frequently Asked Questions

What is the IUPAC name of 2-(1-ethyl-7-methylindol-2-yl)-2-methylpropanoic acid?
The IUPAC name of 2-(1-ethyl-7-methylindol-2-yl)-2-methylpropanoic acid (CID 117196706) is 2-(1-ethyl-7-methylindol-2-yl)-2-methylpropanoic acid.
What is the SMILES notation for 2-(1-ethyl-7-methylindol-2-yl)-2-methylpropanoic acid?
The canonical SMILES for 2-(1-ethyl-7-methylindol-2-yl)-2-methylpropanoic acid is CCn1c(C(C)(C)C(=O)O)cc2cccc(C)c21.
What is the InChIKey of 2-(1-ethyl-7-methylindol-2-yl)-2-methylpropanoic acid?
The InChIKey is QLVBOVLSOPNHDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NO2/c1-5-16-12(15(3,4)14(17)18)9-11-8-6-7-10(2)13(11)16/h6-9H,5H2,1-4H3,(H,17,18).
What are the key properties of 2-(1-ethyl-7-methylindol-2-yl)-2-methylpropanoic acid?
2-(1-ethyl-7-methylindol-2-yl)-2-methylpropanoic acid has a molecular weight of 245.32 g/mol, XLogP of 3.33, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-ethyl-7-methylindol-2-yl)-2-methylpropanoic acid is sourced from PubChem (CID 117196706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).