2-(trideuteriomethoxy)acetic acid

C3H6O3 — CID 58451454

IUPAC2-(trideuteriomethoxy)acetic acid
SMILES[2H]C([2H])([2H])OCC(=O)O
InChIInChI=1S/C3H6O3/c1-6-2-3(4)5/h2H2,1H3,(H,4,5)/i1D3
InChIKeyRMIODHQZRUFFFF-FIBGUPNXSA-N
MW93.10 g/mol
LogP-0.28
Rot. Bonds3

About 2-(trideuteriomethoxy)acetic acid

2-(trideuteriomethoxy)acetic acid (PubChem CID 58451454) has the molecular formula C3H6O3 and a molecular weight of 93.10 g/mol. Its IUPAC name is 2-(trideuteriomethoxy)acetic acid.

Molecular Properties

Compound Name2-(trideuteriomethoxy)acetic acid
PubChem CID58451454
Molecular FormulaC3H6O3
Molecular Weight93.10 g/mol
Exact Mass93.05
IUPAC Name2-(trideuteriomethoxy)acetic acid
SMILES[2H]C([2H])([2H])OCC(=O)O
InChIInChI=1S/C3H6O3/c1-6-2-3(4)5/h2H2,1H3,(H,4,5)/i1D3
InChIKeyRMIODHQZRUFFFF-FIBGUPNXSA-N
XLogP-0.28
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50093.10
LogP ≤ 5-0.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(trideuteriomethoxy)acetic acid?
The IUPAC name of 2-(trideuteriomethoxy)acetic acid (CID 58451454) is 2-(trideuteriomethoxy)acetic acid.
What is the SMILES notation for 2-(trideuteriomethoxy)acetic acid?
The canonical SMILES for 2-(trideuteriomethoxy)acetic acid is [2H]C([2H])([2H])OCC(=O)O.
What is the InChIKey of 2-(trideuteriomethoxy)acetic acid?
The InChIKey is RMIODHQZRUFFFF-FIBGUPNXSA-N. The full InChI is InChI=1S/C3H6O3/c1-6-2-3(4)5/h2H2,1H3,(H,4,5)/i1D3.
What are the key properties of 2-(trideuteriomethoxy)acetic acid?
2-(trideuteriomethoxy)acetic acid has a molecular weight of 93.10 g/mol, XLogP of -0.28, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(trideuteriomethoxy)acetic acid is sourced from PubChem (CID 58451454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).