2-(1-methylindol-7-yl)butanoic acid

C13H15NO2 — CID 82614336

IUPAC2-(1-methylindol-7-yl)butanoic acid
SMILESCCC(C(=O)O)c1cccc2ccn(C)c12
InChIInChI=1S/C13H15NO2/c1-3-10(13(15)16)11-6-4-5-9-7-8-14(2)12(9)11/h4-8,10H,3H2,1-2H3,(H,15,16)
InChIKeyZGTAVPTUYQGFMJ-UHFFFAOYSA-N
MW217.27 g/mol
LogP2.76
Rot. Bonds3

About 2-(1-methylindol-7-yl)butanoic acid

2-(1-methylindol-7-yl)butanoic acid (PubChem CID 82614336) has the molecular formula C13H15NO2 and a molecular weight of 217.27 g/mol. Its IUPAC name is 2-(1-methylindol-7-yl)butanoic acid.

Molecular Properties

Compound Name2-(1-methylindol-7-yl)butanoic acid
PubChem CID82614336
Molecular FormulaC13H15NO2
Molecular Weight217.27 g/mol
Exact Mass217.11
IUPAC Name2-(1-methylindol-7-yl)butanoic acid
SMILESCCC(C(=O)O)c1cccc2ccn(C)c12
InChIInChI=1S/C13H15NO2/c1-3-10(13(15)16)11-6-4-5-9-7-8-14(2)12(9)11/h4-8,10H,3H2,1-2H3,(H,15,16)
InChIKeyZGTAVPTUYQGFMJ-UHFFFAOYSA-N
XLogP2.76
TPSA42.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.27
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-cyclopropyl-3-(1-methylindol-7-yl)propanoic acid
CID 117360163
2-(2,3-dihydroxyphenyl)butanoic acid
CID 19428811
1-(1-methylindol-7-yl)ethane-1,2-diamine
CID 82404349
2-(methylamino)-1-(1-methylindol-7-yl)ethanol
CID 82609114
3-(1-methylindol-7-yl)butan-1-amine
CID 82608277
2-[5,6-bis(oxomethylidene)cyclohexa-1,3-dien-1-yl]butanoic acid
CID 141268834
2-[2-amino-3-(trifluoromethoxy)phenyl]butanoic acid
CID 106988052
2-[3-chloro-2-(methylamino)phenyl]butanoic acid
CID 145408218
2-isoquinolin-4-ylbutanoic acid
CID 63940915
2-(3-aminonaphthalen-1-yl)butanoic acid
CID 67115585
2-(7-ethylindol-1-yl)propanoic acid
CID 60735777
2-(2-hydrazinylphenyl)butanoic acid
CID 69250626

Frequently Asked Questions

What is the IUPAC name of 2-(1-methylindol-7-yl)butanoic acid?
The IUPAC name of 2-(1-methylindol-7-yl)butanoic acid (CID 82614336) is 2-(1-methylindol-7-yl)butanoic acid.
What is the SMILES notation for 2-(1-methylindol-7-yl)butanoic acid?
The canonical SMILES for 2-(1-methylindol-7-yl)butanoic acid is CCC(C(=O)O)c1cccc2ccn(C)c12.
What is the InChIKey of 2-(1-methylindol-7-yl)butanoic acid?
The InChIKey is ZGTAVPTUYQGFMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15NO2/c1-3-10(13(15)16)11-6-4-5-9-7-8-14(2)12(9)11/h4-8,10H,3H2,1-2H3,(H,15,16).
What are the key properties of 2-(1-methylindol-7-yl)butanoic acid?
2-(1-methylindol-7-yl)butanoic acid has a molecular weight of 217.27 g/mol, XLogP of 2.76, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-methylindol-7-yl)butanoic acid is sourced from PubChem (CID 82614336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).