3-amino-2,3,3-trideuterio-2-methylpropanoic acid

C4H9NO2 — CID 131869355

IUPAC3-amino-2,3,3-trideuterio-2-methylpropanoic acid
SMILES[2H]C([2H])(N)C([2H])(C)C(=O)O
InChIInChI=1S/C4H9NO2/c1-3(2-5)4(6)7/h3H,2,5H2,1H3,(H,6,7)/i2D2,3D
InChIKeyQCHPKSFMDHPSNR-UHVFUKFASA-N
MW106.14 g/mol
LogP-0.33
Rot. Bonds2

About 3-amino-2,3,3-trideuterio-2-methylpropanoic acid

3-amino-2,3,3-trideuterio-2-methylpropanoic acid (PubChem CID 131869355) has the molecular formula C4H9NO2 and a molecular weight of 106.14 g/mol. Its IUPAC name is 3-amino-2,3,3-trideuterio-2-methylpropanoic acid.

Molecular Properties

Compound Name3-amino-2,3,3-trideuterio-2-methylpropanoic acid
PubChem CID131869355
Molecular FormulaC4H9NO2
Molecular Weight106.14 g/mol
Exact Mass106.08
IUPAC Name3-amino-2,3,3-trideuterio-2-methylpropanoic acid
SMILES[2H]C([2H])(N)C([2H])(C)C(=O)O
InChIInChI=1S/C4H9NO2/c1-3(2-5)4(6)7/h3H,2,5H2,1H3,(H,6,7)/i2D2,3D
InChIKeyQCHPKSFMDHPSNR-UHVFUKFASA-N
XLogP-0.33
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500106.14
LogP ≤ 5-0.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(2S,3S)-2-amino-2,3,4-trideuterio-4-methyl(113C)pentanoic acid
CID 25241075
(2S,3R)-4-amino-2-(aminomethyl)-3-methylbutanoic acid
CID 175262598
3-[amino(dideuterio)methyl]-2,2-dideuterio-5-methylhexanoic acid
CID 169445830
(2S)-2-amino-4-deuterio-4-methylpentanoic acid
CID 71309041
4-amino-2-fluoro-3-methylbutanoic acid
CID 138987586
2-amino-3-deuterio-3-methylbutanoic acid
CID 59859246
(2S)-3-amino-3-deuterio-2-hydroxypropanoic acid
CID 171370857
(2S,4S)-2-amino-3,4,5,5,5-pentadeuterio-4-(113C)methylpentanoic acid
CID 10920571
2-deuterio-2-methyl-3-phenylpropanoic acid
CID 164888820
(2S)-2-amino-2,3-dideuterio-3-methylpentanoic acid
CID 164674066
(2R)-2-aminopropanoic acid
CID 18611140
(2S)-2-aminopropanoic acid
CID 18446182

Frequently Asked Questions

What is the IUPAC name of 3-amino-2,3,3-trideuterio-2-methylpropanoic acid?
The IUPAC name of 3-amino-2,3,3-trideuterio-2-methylpropanoic acid (CID 131869355) is 3-amino-2,3,3-trideuterio-2-methylpropanoic acid.
What is the SMILES notation for 3-amino-2,3,3-trideuterio-2-methylpropanoic acid?
The canonical SMILES for 3-amino-2,3,3-trideuterio-2-methylpropanoic acid is [2H]C([2H])(N)C([2H])(C)C(=O)O.
What is the InChIKey of 3-amino-2,3,3-trideuterio-2-methylpropanoic acid?
The InChIKey is QCHPKSFMDHPSNR-UHVFUKFASA-N. The full InChI is InChI=1S/C4H9NO2/c1-3(2-5)4(6)7/h3H,2,5H2,1H3,(H,6,7)/i2D2,3D.
What are the key properties of 3-amino-2,3,3-trideuterio-2-methylpropanoic acid?
3-amino-2,3,3-trideuterio-2-methylpropanoic acid has a molecular weight of 106.14 g/mol, XLogP of -0.33, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-2,3,3-trideuterio-2-methylpropanoic acid is sourced from PubChem (CID 131869355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).