3-(3-methyl-1H-indol-7-yl)propanoic acid

C12H13NO2 — CID 66917746

IUPAC3-(3-methyl-1H-indol-7-yl)propanoic acid
SMILESCc1c[nH]c2c(CCC(=O)O)cccc12
InChIInChI=1S/C12H13NO2/c1-8-7-13-12-9(5-6-11(14)15)3-2-4-10(8)12/h2-4,7,13H,5-6H2,1H3,(H,14,15)
InChIKeySEVRWWOJQCAOAX-UHFFFAOYSA-N
MW203.24 g/mol
LogP2.49
Rot. Bonds3

About 3-(3-methyl-1H-indol-7-yl)propanoic acid

3-(3-methyl-1H-indol-7-yl)propanoic acid (PubChem CID 66917746) has the molecular formula C12H13NO2 and a molecular weight of 203.24 g/mol. Its IUPAC name is 3-(3-methyl-1H-indol-7-yl)propanoic acid.

Molecular Properties

Compound Name3-(3-methyl-1H-indol-7-yl)propanoic acid
PubChem CID66917746
Molecular FormulaC12H13NO2
Molecular Weight203.24 g/mol
Exact Mass203.09
IUPAC Name3-(3-methyl-1H-indol-7-yl)propanoic acid
SMILESCc1c[nH]c2c(CCC(=O)O)cccc12
InChIInChI=1S/C12H13NO2/c1-8-7-13-12-9(5-6-11(14)15)3-2-4-10(8)12/h2-4,7,13H,5-6H2,1H3,(H,14,15)
InChIKeySEVRWWOJQCAOAX-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

1-(3-methyl-1H-indol-7-yl)propan-2-one
CID 117205247
7-ethyl-3-methyl-1H-indole
CID 13271010
2-(3-methyl-1H-indol-7-yl)ethanamine
CID 76846888
ethane;3-(7-hydroxy-1H-indol-3-yl)propanoic acid
CID 153346441
3-[methyl-[3-(7-methyl-1H-indol-3-yl)propanoyl]amino]propanoic acid
CID 119233339
4-(7-methyl-1H-indol-3-yl)butan-2-one
CID 28806455
3-(7-ethenyl-1H-indol-3-yl)propanoic acid
CID 126584246
2-(8-ethyl-4-oxo-1H-quinolin-3-yl)acetic acid
CID 84694419
3-[3-[2-(hydroxymethyl)phenyl]-2-methylphenyl]propanoic acid
CID 67664882
3-(4-methyl-1H-pyrrol-3-yl)propanoic acid
CID 15160751
3-(3-methyl-1H-indol-6-yl)propanoic acid
CID 117205078
4-[2-(7-methyl-1H-indol-3-yl)ethylcarbamoylamino]butanoic acid
CID 122003467

Frequently Asked Questions

What is the IUPAC name of 3-(3-methyl-1H-indol-7-yl)propanoic acid?
The IUPAC name of 3-(3-methyl-1H-indol-7-yl)propanoic acid (CID 66917746) is 3-(3-methyl-1H-indol-7-yl)propanoic acid.
What is the SMILES notation for 3-(3-methyl-1H-indol-7-yl)propanoic acid?
The canonical SMILES for 3-(3-methyl-1H-indol-7-yl)propanoic acid is Cc1c[nH]c2c(CCC(=O)O)cccc12.
What is the InChIKey of 3-(3-methyl-1H-indol-7-yl)propanoic acid?
The InChIKey is SEVRWWOJQCAOAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13NO2/c1-8-7-13-12-9(5-6-11(14)15)3-2-4-10(8)12/h2-4,7,13H,5-6H2,1H3,(H,14,15).
What are the key properties of 3-(3-methyl-1H-indol-7-yl)propanoic acid?
3-(3-methyl-1H-indol-7-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-7-yl)propanoic acid is sourced from PubChem (CID 66917746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).