(2S)-2-amino-5,5,5-trideuterio-4,4-dimethylpentanoic acid

C7H15NO2 — CID 162641870

IUPAC(2S)-2-amino-5,5,5-trideuterio-4,4-dimethylpentanoic acid
SMILES[2H]C([2H])([2H])C(C)(C)C[C@H](N)C(=O)O
InChIInChI=1S/C7H15NO2/c1-7(2,3)4-5(8)6(9)10/h5H,4,8H2,1-3H3,(H,9,10)/t5-/m0/s1/i1D3
InChIKeyLPBSHGLDBQBSPI-MQBGRFPLSA-N
MW148.22 g/mol
LogP0.83
Rot. Bonds2

About (2S)-2-amino-5,5,5-trideuterio-4,4-dimethylpentanoic acid

(2S)-2-amino-5,5,5-trideuterio-4,4-dimethylpentanoic acid (PubChem CID 162641870) has the molecular formula C7H15NO2 and a molecular weight of 148.22 g/mol. Its IUPAC name is (2S)-2-amino-5,5,5-trideuterio-4,4-dimethylpentanoic acid.

Molecular Properties

Compound Name(2S)-2-amino-5,5,5-trideuterio-4,4-dimethylpentanoic acid
PubChem CID162641870
Molecular FormulaC7H15NO2
Molecular Weight148.22 g/mol
Exact Mass148.13
IUPAC Name(2S)-2-amino-5,5,5-trideuterio-4,4-dimethylpentanoic acid
SMILES[2H]C([2H])([2H])C(C)(C)C[C@H](N)C(=O)O
InChIInChI=1S/C7H15NO2/c1-7(2,3)4-5(8)6(9)10/h5H,4,8H2,1-3H3,(H,9,10)/t5-/m0/s1/i1D3
InChIKeyLPBSHGLDBQBSPI-MQBGRFPLSA-N
XLogP0.83
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500148.22
LogP ≤ 50.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-amino-4,4-dimethylpentanoic acid;chloromethane
CID 175588190
(2S)-2-amino-4,4-dimethylpentanoic acid;(2S)-2-amino-4-methylpentanoic acid
CID 18635634
(2S)-2,4-diamino-4-methylpentanoic acid
CID 54315966
2-amino-4,4-difluoropentanoic acid;hydrochloride
CID 87665395
(2S)-2,5,5-triaminohexanoic acid
CID 178040033
(2S)-2-amino-5-fluoro-4,4-dimethylpentanoic acid
CID 129061039
2-amino-4,4,6,6,8-pentamethylnonanoic acid
CID 145315535
(2S)-2-amino-4-fluorosulfanyl-4-methylpentanoic acid
CID 142291582
2-amino-3-cyclohexylpropanoic acid;2-amino-4,4-dimethylpentanoic acid
CID 175070006
(2R)-2-amino-4,4-dimethylpentanamide
CID 59001111
2-amino-4-methyl-4-nitropentanoic acid
CID 11469376
(2S)-2-amino-4-methyl-4-nitropentanoic acid
CID 154154915

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-5,5,5-trideuterio-4,4-dimethylpentanoic acid?
The IUPAC name of (2S)-2-amino-5,5,5-trideuterio-4,4-dimethylpentanoic acid (CID 162641870) is (2S)-2-amino-5,5,5-trideuterio-4,4-dimethylpentanoic acid.
What is the SMILES notation for (2S)-2-amino-5,5,5-trideuterio-4,4-dimethylpentanoic acid?
The canonical SMILES for (2S)-2-amino-5,5,5-trideuterio-4,4-dimethylpentanoic acid is [2H]C([2H])([2H])C(C)(C)C[C@H](N)C(=O)O.
What is the InChIKey of (2S)-2-amino-5,5,5-trideuterio-4,4-dimethylpentanoic acid?
The InChIKey is LPBSHGLDBQBSPI-MQBGRFPLSA-N. The full InChI is InChI=1S/C7H15NO2/c1-7(2,3)4-5(8)6(9)10/h5H,4,8H2,1-3H3,(H,9,10)/t5-/m0/s1/i1D3.
What are the key properties of (2S)-2-amino-5,5,5-trideuterio-4,4-dimethylpentanoic acid?
(2S)-2-amino-5,5,5-trideuterio-4,4-dimethylpentanoic acid has a molecular weight of 148.22 g/mol, XLogP of 0.83, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-5,5,5-trideuterio-4,4-dimethylpentanoic acid is sourced from PubChem (CID 162641870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).