3-(3-methyl-1H-indol-6-yl)propanoic acid

C12H13NO2 — CID 117205078

IUPAC3-(3-methyl-1H-indol-6-yl)propanoic acid
SMILESCc1c[nH]c2cc(CCC(=O)O)ccc12
InChIInChI=1S/C12H13NO2/c1-8-7-13-11-6-9(2-4-10(8)11)3-5-12(14)15/h2,4,6-7,13H,3,5H2,1H3,(H,14,15)
InChIKeyBYSNWIVAWONNMC-UHFFFAOYSA-N
MW203.24 g/mol
LogP2.49
Rot. Bonds3

About 3-(3-methyl-1H-indol-6-yl)propanoic acid

3-(3-methyl-1H-indol-6-yl)propanoic acid (PubChem CID 117205078) has the molecular formula C12H13NO2 and a molecular weight of 203.24 g/mol. Its IUPAC name is 3-(3-methyl-1H-indol-6-yl)propanoic acid.

Molecular Properties

Compound Name3-(3-methyl-1H-indol-6-yl)propanoic acid
PubChem CID117205078
Molecular FormulaC12H13NO2
Molecular Weight203.24 g/mol
Exact Mass203.09
IUPAC Name3-(3-methyl-1H-indol-6-yl)propanoic acid
SMILESCc1c[nH]c2cc(CCC(=O)O)ccc12
InChIInChI=1S/C12H13NO2/c1-8-7-13-11-6-9(2-4-10(8)11)3-5-12(14)15/h2,4,6-7,13H,3,5H2,1H3,(H,14,15)
InChIKeyBYSNWIVAWONNMC-UHFFFAOYSA-N
XLogP2.49
TPSA53.09 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.24
LogP ≤ 52.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

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N-methyl-1-(3-methyl-1H-indol-6-yl)methanamine
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O-[(3-methyl-1H-indol-6-yl)methyl]hydroxylamine
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3-(1H-indol-6-yl)propanoic acid
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3-(3-amino-4-methylphenyl)propanoic acid
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3-(3H-benzimidazol-5-yl)propanoic acid;hydrochloride
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3-(2,4-dimethylquinolin-7-yl)propanoic acid
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Frequently Asked Questions

What is the IUPAC name of 3-(3-methyl-1H-indol-6-yl)propanoic acid?
The IUPAC name of 3-(3-methyl-1H-indol-6-yl)propanoic acid (CID 117205078) is 3-(3-methyl-1H-indol-6-yl)propanoic acid.
What is the SMILES notation for 3-(3-methyl-1H-indol-6-yl)propanoic acid?
The canonical SMILES for 3-(3-methyl-1H-indol-6-yl)propanoic acid is Cc1c[nH]c2cc(CCC(=O)O)ccc12.
What is the InChIKey of 3-(3-methyl-1H-indol-6-yl)propanoic acid?
The InChIKey is BYSNWIVAWONNMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13NO2/c1-8-7-13-11-6-9(2-4-10(8)11)3-5-12(14)15/h2,4,6-7,13H,3,5H2,1H3,(H,14,15).
What are the key properties of 3-(3-methyl-1H-indol-6-yl)propanoic acid?
3-(3-methyl-1H-indol-6-yl)propanoic acid has a molecular weight of 203.24 g/mol, XLogP of 2.49, 3 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-methyl-1H-indol-6-yl)propanoic acid is sourced from PubChem (CID 117205078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).