4-(2,3-dimethylindol-3-yl)butanoic acid

C14H17NO2 — CID 59360624

IUPAC4-(2,3-dimethylindol-3-yl)butanoic acid
SMILESCC1=Nc2ccccc2C1(C)CCCC(=O)O
InChIInChI=1S/C14H17NO2/c1-10-14(2,9-5-8-13(16)17)11-6-3-4-7-12(11)15-10/h3-4,6-7H,5,8-9H2,1-2H3,(H,16,17)
InChIKeyPRGGUZOEOWCSQQ-UHFFFAOYSA-N
MW231.29 g/mol
LogP3.31
Rot. Bonds4

About 4-(2,3-dimethylindol-3-yl)butanoic acid

4-(2,3-dimethylindol-3-yl)butanoic acid (PubChem CID 59360624) has the molecular formula C14H17NO2 and a molecular weight of 231.29 g/mol. Its IUPAC name is 4-(2,3-dimethylindol-3-yl)butanoic acid.

Molecular Properties

Compound Name4-(2,3-dimethylindol-3-yl)butanoic acid
PubChem CID59360624
Molecular FormulaC14H17NO2
Molecular Weight231.29 g/mol
Exact Mass231.13
IUPAC Name4-(2,3-dimethylindol-3-yl)butanoic acid
SMILESCC1=Nc2ccccc2C1(C)CCCC(=O)O
InChIInChI=1S/C14H17NO2/c1-10-14(2,9-5-8-13(16)17)11-6-3-4-7-12(11)15-10/h3-4,6-7H,5,8-9H2,1-2H3,(H,16,17)
InChIKeyPRGGUZOEOWCSQQ-UHFFFAOYSA-N
XLogP3.31
TPSA49.66 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.29
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(4-hydroxysulfanylbutyl)-2,3-dimethylindole
CID 145279729
4-(3-methylindol-3-yl)butanoic acid
CID 176812630
3-(3,3-dimethylindol-2-yl)propanoic acid
CID 142727423
bis(2,3,3-trimethylindole);dihydrobromide
CID 175169971
4-[2,3-dimethyl-1-(3-sulfopropyl)indol-1-ium-3-yl]butanoic acid
CID 87293145
pentanedioic acid;toluene
CID 159822689
5-(1-ethenyl-2,3-dimethylindol-1-ium-3-yl)pentanoic acid iodide
CID 25119503
N-[(E)-3-[(3R)-2,3-dimethylindol-3-yl]prop-1-enyl]-N-phenylbenzenesulfonamide
CID 122400482
2,3-dimethylindole-3-carbaldehyde
CID 174957699
2-[5-(2,3-dimethylindol-3-yl)-6-phosphonohexyl]propanedioic acid
CID 66725315
4-[(2-methyl-2H-1,4-benzothiazin-3-yl)sulfanyl]butanoic acid
CID 84616380
6-[(2E)-2-[(E)-3-(3,3-dimethylindol-2-yl)prop-2-enylidene]-3,3-dimethylindol-1-yl]hexanoic acid
CID 134426243

Frequently Asked Questions

What is the IUPAC name of 4-(2,3-dimethylindol-3-yl)butanoic acid?
The IUPAC name of 4-(2,3-dimethylindol-3-yl)butanoic acid (CID 59360624) is 4-(2,3-dimethylindol-3-yl)butanoic acid.
What is the SMILES notation for 4-(2,3-dimethylindol-3-yl)butanoic acid?
The canonical SMILES for 4-(2,3-dimethylindol-3-yl)butanoic acid is CC1=Nc2ccccc2C1(C)CCCC(=O)O.
What is the InChIKey of 4-(2,3-dimethylindol-3-yl)butanoic acid?
The InChIKey is PRGGUZOEOWCSQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17NO2/c1-10-14(2,9-5-8-13(16)17)11-6-3-4-7-12(11)15-10/h3-4,6-7H,5,8-9H2,1-2H3,(H,16,17).
What are the key properties of 4-(2,3-dimethylindol-3-yl)butanoic acid?
4-(2,3-dimethylindol-3-yl)butanoic acid has a molecular weight of 231.29 g/mol, XLogP of 3.31, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,3-dimethylindol-3-yl)butanoic acid is sourced from PubChem (CID 59360624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).