2-aminooxy-2,2-dideuterioacetic acid

C2H5NO3 — CID 45038565

IUPAC2-aminooxy-2,2-dideuterioacetic acid
SMILES[2H]C([2H])(ON)C(=O)O
InChIInChI=1S/C2H5NO3/c3-6-1-2(4)5/h1,3H2,(H,4,5)/i1D2
InChIKeyNQRKYASMKDDGHT-DICFDUPASA-N
MW93.08 g/mol
LogP-1.04
Rot. Bonds2

About 2-aminooxy-2,2-dideuterioacetic acid

2-aminooxy-2,2-dideuterioacetic acid (PubChem CID 45038565) has the molecular formula C2H5NO3 and a molecular weight of 93.08 g/mol. Its IUPAC name is 2-aminooxy-2,2-dideuterioacetic acid.

Molecular Properties

Compound Name2-aminooxy-2,2-dideuterioacetic acid
PubChem CID45038565
Molecular FormulaC2H5NO3
Molecular Weight93.08 g/mol
Exact Mass93.04
IUPAC Name2-aminooxy-2,2-dideuterioacetic acid
SMILES[2H]C([2H])(ON)C(=O)O
InChIInChI=1S/C2H5NO3/c3-6-1-2(4)5/h1,3H2,(H,4,5)/i1D2
InChIKeyNQRKYASMKDDGHT-DICFDUPASA-N
XLogP-1.04
TPSA72.55 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50093.08
LogP ≤ 5-1.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2,3-dideuteriobutanedioic acid
CID 11116041
2,2,3,3-tetradeuteriobutanedioic acid
CID 12998487
3-amino-3-deuteriopropanoic acid
CID 11829360
2-deuteriopropanoic acid;yttrium
CID 59959349
4-aminooxybutanoic acid;hydrochloride
CID 71361272
5-aminooxypentanoic acid
CID 14989418
19-aminooxynonadecanoic acid
CID 145081852
2,2,3,3,4,4-hexadeuteriopentanedioic acid
CID 56845854
(4R)-4-amino-2,2,3,3,4-pentadeuteriobutanoic acid
CID 159995067
2,2-dideuteriobutanedioic acid
CID 87143155
2-amino-3-deuteriobutanedioic acid
CID 119075971
bis(butanedioic acid);hydroxylamine
CID 174855273

Frequently Asked Questions

What is the IUPAC name of 2-aminooxy-2,2-dideuterioacetic acid?
The IUPAC name of 2-aminooxy-2,2-dideuterioacetic acid (CID 45038565) is 2-aminooxy-2,2-dideuterioacetic acid.
What is the SMILES notation for 2-aminooxy-2,2-dideuterioacetic acid?
The canonical SMILES for 2-aminooxy-2,2-dideuterioacetic acid is [2H]C([2H])(ON)C(=O)O.
What is the InChIKey of 2-aminooxy-2,2-dideuterioacetic acid?
The InChIKey is NQRKYASMKDDGHT-DICFDUPASA-N. The full InChI is InChI=1S/C2H5NO3/c3-6-1-2(4)5/h1,3H2,(H,4,5)/i1D2.
What are the key properties of 2-aminooxy-2,2-dideuterioacetic acid?
2-aminooxy-2,2-dideuterioacetic acid has a molecular weight of 93.08 g/mol, XLogP of -1.04, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-aminooxy-2,2-dideuterioacetic acid is sourced from PubChem (CID 45038565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).