3-(7-methoxy-2,3-dimethylindol-1-yl)propanoic acid

C14H17NO3 — CID 82498482

IUPAC3-(7-methoxy-2,3-dimethylindol-1-yl)propanoic acid
SMILESCOc1cccc2c(C)c(C)n(CCC(=O)O)c12
InChIInChI=1S/C14H17NO3/c1-9-10(2)15(8-7-13(16)17)14-11(9)5-4-6-12(14)18-3/h4-6H,7-8H2,1-3H3,(H,16,17)
InChIKeyFUZHRJXQWKQBHT-UHFFFAOYSA-N
MW247.29 g/mol
LogP2.74
Rot. Bonds4

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

3-(7-methoxy-2,3-dimethylindol-1-yl)propanoic acid (PubChem CID 82498482) has the molecular formula C14H17NO3 and a molecular weight of 247.29 g/mol. Its IUPAC name is 3-(7-methoxy-2,3-dimethylindol-1-yl)propanoic acid.

Molecular Properties

Compound Name3-(7-methoxy-2,3-dimethylindol-1-yl)propanoic acid
PubChem CID82498482
Molecular FormulaC14H17NO3
Molecular Weight247.29 g/mol
Exact Mass247.12
IUPAC Name3-(7-methoxy-2,3-dimethylindol-1-yl)propanoic acid
SMILESCOc1cccc2c(C)c(C)n(CCC(=O)O)c12
InChIInChI=1S/C14H17NO3/c1-9-10(2)15(8-7-13(16)17)14-11(9)5-4-6-12(14)18-3/h4-6H,7-8H2,1-3H3,(H,16,17)
InChIKeyFUZHRJXQWKQBHT-UHFFFAOYSA-N
XLogP2.74
TPSA51.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.29
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}

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Related Compounds

3-(7-bromo-2,3-dimethylindol-1-yl)propanoic acid
CID 82502352
3-(8-methoxy-1-methyl-2,4-dioxoquinazolin-3-yl)propanoic acid
CID 117263418
3-(2,3,4,7-tetramethylindol-1-yl)propanoic acid
CID 82497937
7-methoxy-1,3-dimethylindole-2-carbaldehyde
CID 82491728
N-(2,3-dimethylphenyl)-3-(8-methoxy-4-methyl-2-oxoquinolin-1-yl)propanamide
CID 39765349
N-(2,6-dimethylphenyl)-3-(8-methoxy-4-methyl-2-oxoquinolin-1-yl)propanamide
CID 39765352
(E)-3-[2-chloro-7-methoxy-1-(2-methylpropyl)indol-3-yl]prop-2-enoic acid
CID 82269408
N-(3,4-dimethylphenyl)-3-(8-methoxy-4-methyl-2-oxoquinolin-1-yl)propanamide
CID 39765354
4-(3-methoxy-2-methylphenyl)butanoic acid
CID 18626500
1-butyl-2,3-dimethylindole-7-carboxylic acid
CID 83963647
3-(6-methoxy-1,2,3,4-tetrahydropyrazino[1,2-a]indol-10-yl)propanoic acid
CID 84743259
2-(3-chloro-4,5-dimethoxy-9-oxoacridin-10-yl)acetic acid
CID 138658423

Frequently Asked Questions

What is the IUPAC name of 3-(7-methoxy-2,3-dimethylindol-1-yl)propanoic acid?
The IUPAC name of 3-(7-methoxy-2,3-dimethylindol-1-yl)propanoic acid (CID 82498482) is 3-(7-methoxy-2,3-dimethylindol-1-yl)propanoic acid.
What is the SMILES notation for 3-(7-methoxy-2,3-dimethylindol-1-yl)propanoic acid?
The canonical SMILES for 3-(7-methoxy-2,3-dimethylindol-1-yl)propanoic acid is COc1cccc2c(C)c(C)n(CCC(=O)O)c12.
What is the InChIKey of 3-(7-methoxy-2,3-dimethylindol-1-yl)propanoic acid?
The InChIKey is FUZHRJXQWKQBHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17NO3/c1-9-10(2)15(8-7-13(16)17)14-11(9)5-4-6-12(14)18-3/h4-6H,7-8H2,1-3H3,(H,16,17).
What are the key properties of 3-(7-methoxy-2,3-dimethylindol-1-yl)propanoic acid?
3-(7-methoxy-2,3-dimethylindol-1-yl)propanoic acid has a molecular weight of 247.29 g/mol, XLogP of 2.74, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(7-methoxy-2,3-dimethylindol-1-yl)propanoic acid is sourced from PubChem (CID 82498482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).