3-(trideuteriomethylamino)propanoic acid

C4H9NO2 — CID 46782182

IUPAC3-(trideuteriomethylamino)propanoic acid
SMILES[2H]C([2H])([2H])NCCC(=O)O
InChIInChI=1S/C4H9NO2/c1-5-3-2-4(6)7/h5H,2-3H2,1H3,(H,6,7)/i1D3
InChIKeyVDIPNVCWMXZNFY-FIBGUPNXSA-N
MW106.14 g/mol
LogP-0.32
Rot. Bonds4

About 3-(trideuteriomethylamino)propanoic acid

3-(trideuteriomethylamino)propanoic acid (PubChem CID 46782182) has the molecular formula C4H9NO2 and a molecular weight of 106.14 g/mol. Its IUPAC name is 3-(trideuteriomethylamino)propanoic acid.

Molecular Properties

Compound Name3-(trideuteriomethylamino)propanoic acid
PubChem CID46782182
Molecular FormulaC4H9NO2
Molecular Weight106.14 g/mol
Exact Mass106.08
IUPAC Name3-(trideuteriomethylamino)propanoic acid
SMILES[2H]C([2H])([2H])NCCC(=O)O
InChIInChI=1S/C4H9NO2/c1-5-3-2-4(6)7/h5H,2-3H2,1H3,(H,6,7)/i1D3
InChIKeyVDIPNVCWMXZNFY-FIBGUPNXSA-N
XLogP-0.32
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500106.14
LogP ≤ 5-0.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

hydroxy-[hydroxy(oxo)phosphaniumyl]oxy-oxophosphanium;3-(methylamino)propanoic acid
CID 88757252
3-[2-[2-[2-[2-[2-[2-(2-carboxyethylamino)ethylamino]ethylamino]ethylamino]ethylamino]ethylamino]ethylamino]propanoic acid
CID 88924082
3-(carboxymethylamino)propanoic acid;ethane
CID 143762125
2,2,3,3,4,4-hexadeuterio-4-(trideuteriomethylamino)butanoic acid
CID 87379327
Butanoic acid, 4-(methylamino)-, sodium salt (1:1)
CID 162082656
5-(methylamino)pentanoic acid
CID 91583432
3-(ethylamino)propanoic acid;hydrochloride
CID 86759576
3-(fluoroamino)propanoic acid
CID 22665129
dilithium;hydride;4-(methylamino)butanoic acid
CID 173352430
6-(methylamino)hexanoic acid
CID 4989372
ethane;5-(methylamino)pentanoic acid
CID 178043439
ethane;3-(propylamino)propanoic acid
CID 145416081

Frequently Asked Questions

What is the IUPAC name of 3-(trideuteriomethylamino)propanoic acid?
The IUPAC name of 3-(trideuteriomethylamino)propanoic acid (CID 46782182) is 3-(trideuteriomethylamino)propanoic acid.
What is the SMILES notation for 3-(trideuteriomethylamino)propanoic acid?
The canonical SMILES for 3-(trideuteriomethylamino)propanoic acid is [2H]C([2H])([2H])NCCC(=O)O.
What is the InChIKey of 3-(trideuteriomethylamino)propanoic acid?
The InChIKey is VDIPNVCWMXZNFY-FIBGUPNXSA-N. The full InChI is InChI=1S/C4H9NO2/c1-5-3-2-4(6)7/h5H,2-3H2,1H3,(H,6,7)/i1D3.
What are the key properties of 3-(trideuteriomethylamino)propanoic acid?
3-(trideuteriomethylamino)propanoic acid has a molecular weight of 106.14 g/mol, XLogP of -0.32, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(trideuteriomethylamino)propanoic acid is sourced from PubChem (CID 46782182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).