3-(1,7-dimethylindol-2-yl)-2-methylpropanoic acid

C14H17NO2 — CID 83859980

IUPAC3-(1,7-dimethylindol-2-yl)-2-methylpropanoic acid
SMILESCc1cccc2cc(CC(C)C(=O)O)n(C)c12
InChIInChI=1S/C14H17NO2/c1-9-5-4-6-11-8-12(15(3)13(9)11)7-10(2)14(16)17/h4-6,8,10H,7H2,1-3H3,(H,16,17)
InChIKeyPQALMBFZCJOADZ-UHFFFAOYSA-N
MW231.29 g/mol
LogP2.75
Rot. Bonds3

About 3-(1,7-dimethylindol-2-yl)-2-methylpropanoic acid

3-(1,7-dimethylindol-2-yl)-2-methylpropanoic acid (PubChem CID 83859980) has the molecular formula C14H17NO2 and a molecular weight of 231.29 g/mol. Its IUPAC name is 3-(1,7-dimethylindol-2-yl)-2-methylpropanoic acid.

Molecular Properties

Compound Name3-(1,7-dimethylindol-2-yl)-2-methylpropanoic acid
PubChem CID83859980
Molecular FormulaC14H17NO2
Molecular Weight231.29 g/mol
Exact Mass231.13
IUPAC Name3-(1,7-dimethylindol-2-yl)-2-methylpropanoic acid
SMILESCc1cccc2cc(CC(C)C(=O)O)n(C)c12
InChIInChI=1S/C14H17NO2/c1-9-5-4-6-11-8-12(15(3)13(9)11)7-10(2)14(16)17/h4-6,8,10H,7H2,1-3H3,(H,16,17)
InChIKeyPQALMBFZCJOADZ-UHFFFAOYSA-N
XLogP2.75
TPSA42.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.29
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(1,7-dimethylindol-2-yl)-2-methylpropanoic acid?
The IUPAC name of 3-(1,7-dimethylindol-2-yl)-2-methylpropanoic acid (CID 83859980) is 3-(1,7-dimethylindol-2-yl)-2-methylpropanoic acid.
What is the SMILES notation for 3-(1,7-dimethylindol-2-yl)-2-methylpropanoic acid?
The canonical SMILES for 3-(1,7-dimethylindol-2-yl)-2-methylpropanoic acid is Cc1cccc2cc(CC(C)C(=O)O)n(C)c12.
What is the InChIKey of 3-(1,7-dimethylindol-2-yl)-2-methylpropanoic acid?
The InChIKey is PQALMBFZCJOADZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17NO2/c1-9-5-4-6-11-8-12(15(3)13(9)11)7-10(2)14(16)17/h4-6,8,10H,7H2,1-3H3,(H,16,17).
What are the key properties of 3-(1,7-dimethylindol-2-yl)-2-methylpropanoic acid?
3-(1,7-dimethylindol-2-yl)-2-methylpropanoic acid has a molecular weight of 231.29 g/mol, XLogP of 2.75, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1,7-dimethylindol-2-yl)-2-methylpropanoic acid is sourced from PubChem (CID 83859980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).