(2S)-4-methyl-2-(trideuteriomethylamino)pentanoic acid

C7H15NO2 — CID 54472919

IUPAC(2S)-4-methyl-2-(trideuteriomethylamino)pentanoic acid
SMILES[2H]C([2H])([2H])N[C@@H](CC(C)C)C(=O)O
InChIInChI=1S/C7H15NO2/c1-5(2)4-6(8-3)7(9)10/h5-6,8H,4H2,1-3H3,(H,9,10)/t6-/m0/s1/i3D3
InChIKeyXJODGRWDFZVTKW-MQQVVAGNSA-N
MW148.22 g/mol
LogP0.71
Rot. Bonds5

About (2S)-4-methyl-2-(trideuteriomethylamino)pentanoic acid

(2S)-4-methyl-2-(trideuteriomethylamino)pentanoic acid (PubChem CID 54472919) has the molecular formula C7H15NO2 and a molecular weight of 148.22 g/mol. Its IUPAC name is (2S)-4-methyl-2-(trideuteriomethylamino)pentanoic acid.

Molecular Properties

Compound Name(2S)-4-methyl-2-(trideuteriomethylamino)pentanoic acid
PubChem CID54472919
Molecular FormulaC7H15NO2
Molecular Weight148.22 g/mol
Exact Mass148.13
IUPAC Name(2S)-4-methyl-2-(trideuteriomethylamino)pentanoic acid
SMILES[2H]C([2H])([2H])N[C@@H](CC(C)C)C(=O)O
InChIInChI=1S/C7H15NO2/c1-5(2)4-6(8-3)7(9)10/h5-6,8H,4H2,1-3H3,(H,9,10)/t6-/m0/s1/i3D3
InChIKeyXJODGRWDFZVTKW-MQQVVAGNSA-N
XLogP0.71
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500148.22
LogP ≤ 50.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2S)-4-methyl-2-(trideuteriomethylamino)pentanoic acid?
The IUPAC name of (2S)-4-methyl-2-(trideuteriomethylamino)pentanoic acid (CID 54472919) is (2S)-4-methyl-2-(trideuteriomethylamino)pentanoic acid.
What is the SMILES notation for (2S)-4-methyl-2-(trideuteriomethylamino)pentanoic acid?
The canonical SMILES for (2S)-4-methyl-2-(trideuteriomethylamino)pentanoic acid is [2H]C([2H])([2H])N[C@@H](CC(C)C)C(=O)O.
What is the InChIKey of (2S)-4-methyl-2-(trideuteriomethylamino)pentanoic acid?
The InChIKey is XJODGRWDFZVTKW-MQQVVAGNSA-N. The full InChI is InChI=1S/C7H15NO2/c1-5(2)4-6(8-3)7(9)10/h5-6,8H,4H2,1-3H3,(H,9,10)/t6-/m0/s1/i3D3.
What are the key properties of (2S)-4-methyl-2-(trideuteriomethylamino)pentanoic acid?
(2S)-4-methyl-2-(trideuteriomethylamino)pentanoic acid has a molecular weight of 148.22 g/mol, XLogP of 0.71, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-4-methyl-2-(trideuteriomethylamino)pentanoic acid is sourced from PubChem (CID 54472919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).