2-[deuterio(dideuteriomethyl)amino]acetic acid

C3H7NO2 — CID 141242048

IUPAC2-[deuterio(dideuteriomethyl)amino]acetic acid
SMILES[2H]C([2H])N([2H])CC(=O)O
InChIInChI=1S/C3H7NO2/c1-4-2-3(5)6/h4H,2H2,1H3,(H,5,6)/i1D2/hD
InChIKeyFSYKKLYZXJSNPZ-RIAYTAFFSA-N
MW92.11 g/mol
LogP-0.71
Rot. Bonds3

About 2-[deuterio(dideuteriomethyl)amino]acetic acid

2-[deuterio(dideuteriomethyl)amino]acetic acid (PubChem CID 141242048) has the molecular formula C3H7NO2 and a molecular weight of 92.11 g/mol. Its IUPAC name is 2-[deuterio(dideuteriomethyl)amino]acetic acid.

Molecular Properties

Compound Name2-[deuterio(dideuteriomethyl)amino]acetic acid
PubChem CID141242048
Molecular FormulaC3H7NO2
Molecular Weight92.11 g/mol
Exact Mass92.07
IUPAC Name2-[deuterio(dideuteriomethyl)amino]acetic acid
SMILES[2H]C([2H])N([2H])CC(=O)O
InChIInChI=1S/C3H7NO2/c1-4-2-3(5)6/h4H,2H2,1H3,(H,5,6)/i1D2/hD
InChIKeyFSYKKLYZXJSNPZ-RIAYTAFFSA-N
XLogP-0.71
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50092.11
LogP ≤ 5-0.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[deuterio(dideuteriomethyl)amino]acetic acid?
The IUPAC name of 2-[deuterio(dideuteriomethyl)amino]acetic acid (CID 141242048) is 2-[deuterio(dideuteriomethyl)amino]acetic acid.
What is the SMILES notation for 2-[deuterio(dideuteriomethyl)amino]acetic acid?
The canonical SMILES for 2-[deuterio(dideuteriomethyl)amino]acetic acid is [2H]C([2H])N([2H])CC(=O)O.
What is the InChIKey of 2-[deuterio(dideuteriomethyl)amino]acetic acid?
The InChIKey is FSYKKLYZXJSNPZ-RIAYTAFFSA-N. The full InChI is InChI=1S/C3H7NO2/c1-4-2-3(5)6/h4H,2H2,1H3,(H,5,6)/i1D2/hD.
What are the key properties of 2-[deuterio(dideuteriomethyl)amino]acetic acid?
2-[deuterio(dideuteriomethyl)amino]acetic acid has a molecular weight of 92.11 g/mol, XLogP of -0.71, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[deuterio(dideuteriomethyl)amino]acetic acid is sourced from PubChem (CID 141242048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).