2-amino-2,2-dideuterioacetate

C2H4NO2- — CID 59915671

IUPAC2-amino-2,2-dideuterioacetate
SMILES[2H]C([2H])(N)C(=O)[O-]
InChIInChI=1S/C2H5NO2/c3-1-2(4)5/h1,3H2,(H,4,5)/p-1/i1D2
InChIKeyDHMQDGOQFOQNFH-DICFDUPASA-M
MW76.07 g/mol
LogP-2.31
Rot. Bonds1

About 2-amino-2,2-dideuterioacetate

2-amino-2,2-dideuterioacetate (PubChem CID 59915671) has the molecular formula C2H4NO2- and a molecular weight of 76.07 g/mol. Its IUPAC name is 2-amino-2,2-dideuterioacetate.

Molecular Properties

Compound Name2-amino-2,2-dideuterioacetate
PubChem CID59915671
Molecular FormulaC2H4NO2-
Molecular Weight76.07 g/mol
Exact Mass76.04
IUPAC Name2-amino-2,2-dideuterioacetate
SMILES[2H]C([2H])(N)C(=O)[O-]
InChIInChI=1S/C2H5NO2/c3-1-2(4)5/h1,3H2,(H,4,5)/p-1/i1D2
InChIKeyDHMQDGOQFOQNFH-DICFDUPASA-M
XLogP-2.31
TPSA66.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms5
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50076.07
LogP ≤ 5-2.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

tris(2-aminoacetate);copper
CID 158701626
2-aminoacetate;rubidium(1+)
CID 59119233
aluminum tris(2-aminoacetate)
CID 6452712
tetrakis(2-aminoacetate);cobalt(2+);nickel(2+)
CID 175457538
tetrakis(2-aminoacetate);zirconium(4+);hydrochloride
CID 173139995
trimagnesium;bis(2-aminoacetate);dicarbonate
CID 173203788
aluminum;tris(2-aminoacetate);tetrahydrochloride
CID 173183956
copper;bis(2-aminoacetate);hydrate
CID 139067245
aluminum;heptakis(2-aminoacetate);zirconium(4+);tetrahydrate
CID 175035825
ethane-1,2-diamine;tetrakis(iron(3+));dodecaacetate
CID 159221534
sodium 2-deuteriopropanoate
CID 23666812
CID 173183203
CID 173183203

Frequently Asked Questions

What is the IUPAC name of 2-amino-2,2-dideuterioacetate?
The IUPAC name of 2-amino-2,2-dideuterioacetate (CID 59915671) is 2-amino-2,2-dideuterioacetate.
What is the SMILES notation for 2-amino-2,2-dideuterioacetate?
The canonical SMILES for 2-amino-2,2-dideuterioacetate is [2H]C([2H])(N)C(=O)[O-].
What is the InChIKey of 2-amino-2,2-dideuterioacetate?
The InChIKey is DHMQDGOQFOQNFH-DICFDUPASA-M. The full InChI is InChI=1S/C2H5NO2/c3-1-2(4)5/h1,3H2,(H,4,5)/p-1/i1D2.
What are the key properties of 2-amino-2,2-dideuterioacetate?
2-amino-2,2-dideuterioacetate has a molecular weight of 76.07 g/mol, XLogP of -2.31, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2,2-dideuterioacetate is sourced from PubChem (CID 59915671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).