4-(trideuteriomethylamino)butanoic acid

C5H11NO2 — CID 46782184

IUPAC4-(trideuteriomethylamino)butanoic acid
SMILES[2H]C([2H])([2H])NCCCC(=O)O
InChIInChI=1S/C5H11NO2/c1-6-4-2-3-5(7)8/h6H,2-4H2,1H3,(H,7,8)/i1D3
InChIKeyAOKCDAVWJLOAHG-FIBGUPNXSA-N
MW120.17 g/mol
LogP0.07
Rot. Bonds5

About 4-(trideuteriomethylamino)butanoic acid

4-(trideuteriomethylamino)butanoic acid (PubChem CID 46782184) has the molecular formula C5H11NO2 and a molecular weight of 120.17 g/mol. Its IUPAC name is 4-(trideuteriomethylamino)butanoic acid.

Molecular Properties

Compound Name4-(trideuteriomethylamino)butanoic acid
PubChem CID46782184
Molecular FormulaC5H11NO2
Molecular Weight120.17 g/mol
Exact Mass120.10
IUPAC Name4-(trideuteriomethylamino)butanoic acid
SMILES[2H]C([2H])([2H])NCCCC(=O)O
InChIInChI=1S/C5H11NO2/c1-6-4-2-3-5(7)8/h6H,2-4H2,1H3,(H,7,8)/i1D3
InChIKeyAOKCDAVWJLOAHG-FIBGUPNXSA-N
XLogP0.07
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500120.17
LogP ≤ 50.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

Gamma-Aminobutyric Acid
CID 119
4-Acetamidobutyric acid
CID 18189
4-((2-Carboxyethyl)amino)butanoic acid
CID 2572
4-(Methylamino)butyric acid
CID 70703
gamma-Aminobutyric acid hydrochloride
CID 210329
3-(Methylcarbamoyl)propanoic acid
CID 292050
4-Methylaminobutanoate
CID 1550042
4-(Dimethylamino)butyric acid
CID 239820
4-(Methylamino)butyric acid hydrochloride
CID 12626654
Isoputreanine
CID 171763
3-(propylcarbamoyl)propanoic Acid
CID 4034758
4-Amino(~2~H_6_)butanoic acid
CID 12405755

Frequently Asked Questions

What is the IUPAC name of 4-(trideuteriomethylamino)butanoic acid?
The IUPAC name of 4-(trideuteriomethylamino)butanoic acid (CID 46782184) is 4-(trideuteriomethylamino)butanoic acid.
What is the SMILES notation for 4-(trideuteriomethylamino)butanoic acid?
The canonical SMILES for 4-(trideuteriomethylamino)butanoic acid is [2H]C([2H])([2H])NCCCC(=O)O.
What is the InChIKey of 4-(trideuteriomethylamino)butanoic acid?
The InChIKey is AOKCDAVWJLOAHG-FIBGUPNXSA-N. The full InChI is InChI=1S/C5H11NO2/c1-6-4-2-3-5(7)8/h6H,2-4H2,1H3,(H,7,8)/i1D3.
What are the key properties of 4-(trideuteriomethylamino)butanoic acid?
4-(trideuteriomethylamino)butanoic acid has a molecular weight of 120.17 g/mol, XLogP of 0.07, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(trideuteriomethylamino)butanoic acid is sourced from PubChem (CID 46782184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).