3-(5,7-dimethoxy-1-methylindol-3-yl)propanoic acid

C14H17NO4 — CID 82501282

IUPAC3-(5,7-dimethoxy-1-methylindol-3-yl)propanoic acid
SMILESCOc1cc(OC)c2c(c1)c(CCC(=O)O)cn2C
InChIInChI=1S/C14H17NO4/c1-15-8-9(4-5-13(16)17)11-6-10(18-2)7-12(19-3)14(11)15/h6-8H,4-5H2,1-3H3,(H,16,17)
InChIKeyQTGQQEWCGOVWNN-UHFFFAOYSA-N
MW263.29 g/mol
LogP2.21
Rot. Bonds5

About 3-(5,7-dimethoxy-1-methylindol-3-yl)propanoic acid

3-(5,7-dimethoxy-1-methylindol-3-yl)propanoic acid (PubChem CID 82501282) has the molecular formula C14H17NO4 and a molecular weight of 263.29 g/mol. Its IUPAC name is 3-(5,7-dimethoxy-1-methylindol-3-yl)propanoic acid.

Molecular Properties

Compound Name3-(5,7-dimethoxy-1-methylindol-3-yl)propanoic acid
PubChem CID82501282
Molecular FormulaC14H17NO4
Molecular Weight263.29 g/mol
Exact Mass263.12
IUPAC Name3-(5,7-dimethoxy-1-methylindol-3-yl)propanoic acid
SMILESCOc1cc(OC)c2c(c1)c(CCC(=O)O)cn2C
InChIInChI=1S/C14H17NO4/c1-15-8-9(4-5-13(16)17)11-6-10(18-2)7-12(19-3)14(11)15/h6-8H,4-5H2,1-3H3,(H,16,17)
InChIKeyQTGQQEWCGOVWNN-UHFFFAOYSA-N
XLogP2.21
TPSA60.69 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.29
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3-(5,7-dimethoxy-1-methylindol-3-yl)propanoic 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

3-[5,6-dimethoxy-1-(4-methoxyphenyl)sulfonylindol-3-yl]propanoic acid
CID 18450023
4-(7-methoxy-1,4-dimethylindol-3-yl)butanoic acid
CID 82500843
3-(2-hydroxy-3,4-dimethoxyphenyl)propanoic acid
CID 117325047
3-(7-ethynyl-1-methylindol-3-yl)propanoic acid
CID 138576740
3-(7-methoxy-1,3,5-trimethylindol-2-yl)propanoic acid
CID 82500848
3-[1-methyl-7-(trifluoromethyl)indol-3-yl]propanoic acid
CID 117197320
1-(5,7-dimethoxy-1,2-dimethylindol-3-yl)propan-2-one
CID 82500836
3-(6-hydroxy-1-methylindol-3-yl)propanoic acid
CID 71537680
3-(4-ethoxy-2-methoxyphenyl)propanoic acid
CID 97034664
3-(7-cyclopropyl-1-methylindol-3-yl)propanoic acid
CID 134481132
methyl 3-(6-methoxy-1-methylindol-3-yl)propanoate
CID 71520642
3-(5-chloro-2,3-dimethoxyphenyl)propanoic acid
CID 117363654

Frequently Asked Questions

What is the IUPAC name of 3-(5,7-dimethoxy-1-methylindol-3-yl)propanoic acid?
The IUPAC name of 3-(5,7-dimethoxy-1-methylindol-3-yl)propanoic acid (CID 82501282) is 3-(5,7-dimethoxy-1-methylindol-3-yl)propanoic acid.
What is the SMILES notation for 3-(5,7-dimethoxy-1-methylindol-3-yl)propanoic acid?
The canonical SMILES for 3-(5,7-dimethoxy-1-methylindol-3-yl)propanoic acid is COc1cc(OC)c2c(c1)c(CCC(=O)O)cn2C.
What is the InChIKey of 3-(5,7-dimethoxy-1-methylindol-3-yl)propanoic acid?
The InChIKey is QTGQQEWCGOVWNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17NO4/c1-15-8-9(4-5-13(16)17)11-6-10(18-2)7-12(19-3)14(11)15/h6-8H,4-5H2,1-3H3,(H,16,17).
What are the key properties of 3-(5,7-dimethoxy-1-methylindol-3-yl)propanoic acid?
3-(5,7-dimethoxy-1-methylindol-3-yl)propanoic acid has a molecular weight of 263.29 g/mol, XLogP of 2.21, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5,7-dimethoxy-1-methylindol-3-yl)propanoic acid is sourced from PubChem (CID 82501282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).