2-(1-methyl-2-oxo-3H-indol-3-yl)acetic acid

C11H11NO3 — CID 3159608

IUPAC2-(1-methyl-2-oxo-3H-indol-3-yl)acetic acid
SMILESCN1C(=O)C(CC(=O)O)c2ccccc21
InChIInChI=1S/C11H11NO3/c1-12-9-5-3-2-4-7(9)8(11(12)15)6-10(13)14/h2-5,8H,6H2,1H3,(H,13,14)
InChIKeyBAUWIAWMJHZMIV-UHFFFAOYSA-N
MW205.21 g/mol
LogP1.22
Rot. Bonds2

About 2-(1-methyl-2-oxo-3H-indol-3-yl)acetic acid

2-(1-methyl-2-oxo-3H-indol-3-yl)acetic acid (PubChem CID 3159608) has the molecular formula C11H11NO3 and a molecular weight of 205.21 g/mol. Its IUPAC name is 2-(1-methyl-2-oxo-3H-indol-3-yl)acetic acid.

Molecular Properties

Compound Name2-(1-methyl-2-oxo-3H-indol-3-yl)acetic acid
PubChem CID3159608
Molecular FormulaC11H11NO3
Molecular Weight205.21 g/mol
Exact Mass205.07
IUPAC Name2-(1-methyl-2-oxo-3H-indol-3-yl)acetic acid
SMILESCN1C(=O)C(CC(=O)O)c2ccccc21
InChIInChI=1S/C11H11NO3/c1-12-9-5-3-2-4-7(9)8(11(12)15)6-10(13)14/h2-5,8H,6H2,1H3,(H,13,14)
InChIKeyBAUWIAWMJHZMIV-UHFFFAOYSA-N
XLogP1.22
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.21
LogP ≤ 51.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(1-methyl-2-oxo-3H-indol-3-yl)acetic acid?
The IUPAC name of 2-(1-methyl-2-oxo-3H-indol-3-yl)acetic acid (CID 3159608) is 2-(1-methyl-2-oxo-3H-indol-3-yl)acetic acid.
What is the SMILES notation for 2-(1-methyl-2-oxo-3H-indol-3-yl)acetic acid?
The canonical SMILES for 2-(1-methyl-2-oxo-3H-indol-3-yl)acetic acid is CN1C(=O)C(CC(=O)O)c2ccccc21.
What is the InChIKey of 2-(1-methyl-2-oxo-3H-indol-3-yl)acetic acid?
The InChIKey is BAUWIAWMJHZMIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11NO3/c1-12-9-5-3-2-4-7(9)8(11(12)15)6-10(13)14/h2-5,8H,6H2,1H3,(H,13,14).
What are the key properties of 2-(1-methyl-2-oxo-3H-indol-3-yl)acetic acid?
2-(1-methyl-2-oxo-3H-indol-3-yl)acetic acid has a molecular weight of 205.21 g/mol, XLogP of 1.22, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-methyl-2-oxo-3H-indol-3-yl)acetic acid is sourced from PubChem (CID 3159608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).