2-Amino-3,3,3-trideuterio-2-(trideuteriomethyl)propanoic acid
Basic information
- CAS
50348-93-1- Standard SMILES
[2H]C([2H])([2H])C(N)(C(=O)O)C([2H])([2H])[2H]- InChIKey
FUOOLUPWFVMBKG-WFGJKAKNSA-N- Molecular formula
- C4H9NO2
- Average molar mass
- 109.16 g/mol
- Monoisotopic mass
- 109.10098901
Names & identifiers
- Preferred name
- 2-Amino-3,3,3-trideuterio-2-(trideuteriomethyl)propanoic acid
- IUPAC
- 2-amino-3,3,3-trideuterio-2-(trideuteriomethyl)propanoic acid
- English name
- 2-Methylalanine
- Molecular formula
- C4H9NO2
- Molecular weight
- 103.11976
Names & synonyms
50348-93-12-Methylalanine-d62-Amino-3,3,3-trideuterio-2-(trideuteriomethyl)propanoic acidNSC 16590-d62-AMINO-2-(2H3)METHYL(2H3)PROPANOIC ACID2-(~2~H_3_)Methyl(3,3,3-~2~H_3_)alanine2-Amino-iso-butyric-d6 Acid (dimethyl-d6)alpha-Amino-iso-butyric-d6 AcidHY-Y0124SDTXSID60858009CS-0380126D97965
Show more names
2-Methylalanine-d6 Hydrochlorideα-Amino-iso-butyric-d6 Acid (dimethyl-d6)α-Amino-Iso-Butyric-D6 Acid (Dimethyl-D6) (Standard)
EN300-7580284
Database identifiers
- CAS
50348-93-1- PubChem CID
- 71750171
- DTXSID
DTXSID60858009
Properties
Computed structural properties
- XLogP
- -2.8
- Topological polar surface area
- 63.3 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 1
- Heavy atoms
- 7
- Formal charge
- 0
- Complexity
- 87.7
Physicochemical properties
- storage temp.
- Refrigerator, Under inert atmosphere
- solubility
- Methanol (Slightly, Heated), Water (Slightly)
- form
- Solid
- color
- White to Off-White
Chemistry & industry
Applications
UsesA labelled alanine derivative.
Uses2-Methylalanine-d6, is the labeled analogue of 2-Methylalanine (M276570), an Alanine (A481400) derivative.
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Compound notes
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