trideuteriomethyl (2S)-2-(trideuteriomethoxy)propanoate

C5H10O3 — CID 100961623

IUPACtrideuteriomethyl (2S)-2-(trideuteriomethoxy)propanoate
SMILES[2H]C([2H])([2H])OC(=O)[C@H](C)OC([2H])([2H])[2H]
InChIInChI=1S/C5H10O3/c1-4(7-2)5(6)8-3/h4H,1-3H3/t4-/m0/s1/i2D3,3D3
InChIKeyVABBJJOSOCPYIT-QDWNJDLHSA-N
MW124.17 g/mol
LogP0.19
Rot. Bonds4

About trideuteriomethyl (2S)-2-(trideuteriomethoxy)propanoate

trideuteriomethyl (2S)-2-(trideuteriomethoxy)propanoate (PubChem CID 100961623) has the molecular formula C5H10O3 and a molecular weight of 124.17 g/mol. Its IUPAC name is trideuteriomethyl (2S)-2-(trideuteriomethoxy)propanoate.

Molecular Properties

Compound Nametrideuteriomethyl (2S)-2-(trideuteriomethoxy)propanoate
PubChem CID100961623
Molecular FormulaC5H10O3
Molecular Weight124.17 g/mol
Exact Mass124.10
IUPAC Nametrideuteriomethyl (2S)-2-(trideuteriomethoxy)propanoate
SMILES[2H]C([2H])([2H])OC(=O)[C@H](C)OC([2H])([2H])[2H]
InChIInChI=1S/C5H10O3/c1-4(7-2)5(6)8-3/h4H,1-3H3/t4-/m0/s1/i2D3,3D3
InChIKeyVABBJJOSOCPYIT-QDWNJDLHSA-N
XLogP0.19
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500124.17
LogP ≤ 50.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of trideuteriomethyl (2S)-2-(trideuteriomethoxy)propanoate?
The IUPAC name of trideuteriomethyl (2S)-2-(trideuteriomethoxy)propanoate (CID 100961623) is trideuteriomethyl (2S)-2-(trideuteriomethoxy)propanoate.
What is the SMILES notation for trideuteriomethyl (2S)-2-(trideuteriomethoxy)propanoate?
The canonical SMILES for trideuteriomethyl (2S)-2-(trideuteriomethoxy)propanoate is [2H]C([2H])([2H])OC(=O)[C@H](C)OC([2H])([2H])[2H].
What is the InChIKey of trideuteriomethyl (2S)-2-(trideuteriomethoxy)propanoate?
The InChIKey is VABBJJOSOCPYIT-QDWNJDLHSA-N. The full InChI is InChI=1S/C5H10O3/c1-4(7-2)5(6)8-3/h4H,1-3H3/t4-/m0/s1/i2D3,3D3.
What are the key properties of trideuteriomethyl (2S)-2-(trideuteriomethoxy)propanoate?
trideuteriomethyl (2S)-2-(trideuteriomethoxy)propanoate has a molecular weight of 124.17 g/mol, XLogP of 0.19, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for trideuteriomethyl (2S)-2-(trideuteriomethoxy)propanoate is sourced from PubChem (CID 100961623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).