2-(2,2-dideuterioindol-3-yl)acetic acid

C10H9NO2 — CID 172722317

IUPAC2-(2,2-dideuterioindol-3-yl)acetic acid
SMILES[2H]C1([2H])N=c2ccccc2=C1CC(=O)O
InChIInChI=1S/C10H9NO2/c12-10(13)5-7-6-11-9-4-2-1-3-8(7)9/h1-4H,5-6H2,(H,12,13)/i6D2
InChIKeyGRJUFYXVNAPNJA-NCYHJHSESA-N
MW177.20 g/mol
LogP-0.05
Rot. Bonds2

About 2-(2,2-dideuterioindol-3-yl)acetic acid

2-(2,2-dideuterioindol-3-yl)acetic acid (PubChem CID 172722317) has the molecular formula C10H9NO2 and a molecular weight of 177.20 g/mol. Its IUPAC name is 2-(2,2-dideuterioindol-3-yl)acetic acid.

Molecular Properties

Compound Name2-(2,2-dideuterioindol-3-yl)acetic acid
PubChem CID172722317
Molecular FormulaC10H9NO2
Molecular Weight177.20 g/mol
Exact Mass177.08
IUPAC Name2-(2,2-dideuterioindol-3-yl)acetic acid
SMILES[2H]C1([2H])N=c2ccccc2=C1CC(=O)O
InChIInChI=1S/C10H9NO2/c12-10(13)5-7-6-11-9-4-2-1-3-8(7)9/h1-4H,5-6H2,(H,12,13)/i6D2
InChIKeyGRJUFYXVNAPNJA-NCYHJHSESA-N
XLogP-0.05
TPSA49.66 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.20
LogP ≤ 5-0.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-(2,2-dideuterioindol-3-yl)acetic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(2,2-dideuterioindol-3-yl)acetic acid?
The IUPAC name of 2-(2,2-dideuterioindol-3-yl)acetic acid (CID 172722317) is 2-(2,2-dideuterioindol-3-yl)acetic acid.
What is the SMILES notation for 2-(2,2-dideuterioindol-3-yl)acetic acid?
The canonical SMILES for 2-(2,2-dideuterioindol-3-yl)acetic acid is [2H]C1([2H])N=c2ccccc2=C1CC(=O)O.
What is the InChIKey of 2-(2,2-dideuterioindol-3-yl)acetic acid?
The InChIKey is GRJUFYXVNAPNJA-NCYHJHSESA-N. The full InChI is InChI=1S/C10H9NO2/c12-10(13)5-7-6-11-9-4-2-1-3-8(7)9/h1-4H,5-6H2,(H,12,13)/i6D2.
What are the key properties of 2-(2,2-dideuterioindol-3-yl)acetic acid?
2-(2,2-dideuterioindol-3-yl)acetic acid has a molecular weight of 177.20 g/mol, XLogP of -0.05, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,2-dideuterioindol-3-yl)acetic acid is sourced from PubChem (CID 172722317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).