2-amino-3-deuterio-3-methylbutanoic acid

C5H11NO2 — CID 59859246

IUPAC2-amino-3-deuterio-3-methylbutanoic acid
SMILES[2H]C(C)(C)C(N)C(=O)O
InChIInChI=1S/C5H11NO2/c1-3(2)4(6)5(7)8/h3-4H,6H2,1-2H3,(H,7,8)/i3D
InChIKeyKZSNJWFQEVHDMF-WFVSFCRTSA-N
MW118.15 g/mol
LogP0.05
Rot. Bonds2

About 2-amino-3-deuterio-3-methylbutanoic acid

2-amino-3-deuterio-3-methylbutanoic acid (PubChem CID 59859246) has the molecular formula C5H11NO2 and a molecular weight of 118.15 g/mol. Its IUPAC name is 2-amino-3-deuterio-3-methylbutanoic acid.

Molecular Properties

Compound Name2-amino-3-deuterio-3-methylbutanoic acid
PubChem CID59859246
Molecular FormulaC5H11NO2
Molecular Weight118.15 g/mol
Exact Mass118.09
IUPAC Name2-amino-3-deuterio-3-methylbutanoic acid
SMILES[2H]C(C)(C)C(N)C(=O)O
InChIInChI=1S/C5H11NO2/c1-3(2)4(6)5(7)8/h3-4H,6H2,1-2H3,(H,7,8)/i3D
InChIKeyKZSNJWFQEVHDMF-WFVSFCRTSA-N
XLogP0.05
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500118.15
LogP ≤ 50.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(2S,3R)-2-amino-3-deuterio-3-hydroxybutanoic acid
CID 10582778
(2R)-2-(15N)azanyl-3-methylbutanoic acid
CID 10558606
2-amino-3-methylbutanoic acid;vanadium
CID 175123177
tris((2S)-2-amino-3-methylbutanoic acid);chromium
CID 156700513
(2R,3R)-2,3-diaminobutanoic acid;dihydrochloride
CID 71463685
(2S,3R)-2-amino-3-hydroxybutanoic acid
CID 158974218
(2R,3S)-2,3-diaminobutanoic acid;dihydrochloride
CID 15941603
2,3-diaminobutanoic acid;hydrobromide
CID 84819421
bis((2S)-2-amino-3-methylbutanoic acid);sulfane
CID 87598201
2-amino-3-methylbutanedioic acid
CID 852
silver 2-amino-3-methylbutanoic acid
CID 19021116
(2S,3S)-2-amino-3-hydroxy-6-methylheptanoic acid
CID 154251758

Frequently Asked Questions

What is the IUPAC name of 2-amino-3-deuterio-3-methylbutanoic acid?
The IUPAC name of 2-amino-3-deuterio-3-methylbutanoic acid (CID 59859246) is 2-amino-3-deuterio-3-methylbutanoic acid.
What is the SMILES notation for 2-amino-3-deuterio-3-methylbutanoic acid?
The canonical SMILES for 2-amino-3-deuterio-3-methylbutanoic acid is [2H]C(C)(C)C(N)C(=O)O.
What is the InChIKey of 2-amino-3-deuterio-3-methylbutanoic acid?
The InChIKey is KZSNJWFQEVHDMF-WFVSFCRTSA-N. The full InChI is InChI=1S/C5H11NO2/c1-3(2)4(6)5(7)8/h3-4H,6H2,1-2H3,(H,7,8)/i3D.
What are the key properties of 2-amino-3-deuterio-3-methylbutanoic acid?
2-amino-3-deuterio-3-methylbutanoic acid has a molecular weight of 118.15 g/mol, XLogP of 0.05, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-deuterio-3-methylbutanoic acid is sourced from PubChem (CID 59859246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).