but-3-en-2-yl 2-(trideuteriomethylamino)acetate

C7H13NO2 — CID 155759933

IUPACbut-3-en-2-yl 2-(trideuteriomethylamino)acetate
SMILES[2H]C([2H])([2H])NCC(=O)OC(C)C=C
InChIInChI=1S/C7H13NO2/c1-4-6(2)10-7(9)5-8-3/h4,6,8H,1,5H2,2-3H3/i3D3
InChIKeyVFSIUSQGOWZGHP-HPRDVNIFSA-N
MW146.20 g/mol
LogP0.32
Rot. Bonds5

About but-3-en-2-yl 2-(trideuteriomethylamino)acetate

but-3-en-2-yl 2-(trideuteriomethylamino)acetate (PubChem CID 155759933) has the molecular formula C7H13NO2 and a molecular weight of 146.20 g/mol. Its IUPAC name is but-3-en-2-yl 2-(trideuteriomethylamino)acetate.

Molecular Properties

Compound Namebut-3-en-2-yl 2-(trideuteriomethylamino)acetate
PubChem CID155759933
Molecular FormulaC7H13NO2
Molecular Weight146.20 g/mol
Exact Mass146.11
IUPAC Namebut-3-en-2-yl 2-(trideuteriomethylamino)acetate
SMILES[2H]C([2H])([2H])NCC(=O)OC(C)C=C
InChIInChI=1S/C7H13NO2/c1-4-6(2)10-7(9)5-8-3/h4,6,8H,1,5H2,2-3H3/i3D3
InChIKeyVFSIUSQGOWZGHP-HPRDVNIFSA-N
XLogP0.32
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500146.20
LogP ≤ 50.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze but-3-en-2-yl 2-(trideuteriomethylamino)acetate 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 but-3-en-2-yl 2-(trideuteriomethylamino)acetate?
The IUPAC name of but-3-en-2-yl 2-(trideuteriomethylamino)acetate (CID 155759933) is but-3-en-2-yl 2-(trideuteriomethylamino)acetate.
What is the SMILES notation for but-3-en-2-yl 2-(trideuteriomethylamino)acetate?
The canonical SMILES for but-3-en-2-yl 2-(trideuteriomethylamino)acetate is [2H]C([2H])([2H])NCC(=O)OC(C)C=C.
What is the InChIKey of but-3-en-2-yl 2-(trideuteriomethylamino)acetate?
The InChIKey is VFSIUSQGOWZGHP-HPRDVNIFSA-N. The full InChI is InChI=1S/C7H13NO2/c1-4-6(2)10-7(9)5-8-3/h4,6,8H,1,5H2,2-3H3/i3D3.
What are the key properties of but-3-en-2-yl 2-(trideuteriomethylamino)acetate?
but-3-en-2-yl 2-(trideuteriomethylamino)acetate has a molecular weight of 146.20 g/mol, XLogP of 0.32, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for but-3-en-2-yl 2-(trideuteriomethylamino)acetate is sourced from PubChem (CID 155759933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).