5-amino-2,2-dideuterio-4-oxopentanoic acid

C5H9NO3 — CID 10986271

IUPAC5-amino-2,2-dideuterio-4-oxopentanoic acid
SMILES[2H]C([2H])(CC(=O)CN)C(=O)O
InChIInChI=1S/C5H9NO3/c6-3-4(7)1-2-5(8)9/h1-3,6H2,(H,8,9)/i2D2
InChIKeyZGXJTSGNIOSYLO-CBTSVUPCSA-N
MW133.14 g/mol
LogP-0.62
Rot. Bonds4

About 5-amino-2,2-dideuterio-4-oxopentanoic acid

5-amino-2,2-dideuterio-4-oxopentanoic acid (PubChem CID 10986271) has the molecular formula C5H9NO3 and a molecular weight of 133.14 g/mol. Its IUPAC name is 5-amino-2,2-dideuterio-4-oxopentanoic acid.

Molecular Properties

Compound Name5-amino-2,2-dideuterio-4-oxopentanoic acid
PubChem CID10986271
Molecular FormulaC5H9NO3
Molecular Weight133.14 g/mol
Exact Mass133.07
IUPAC Name5-amino-2,2-dideuterio-4-oxopentanoic acid
SMILES[2H]C([2H])(CC(=O)CN)C(=O)O
InChIInChI=1S/C5H9NO3/c6-3-4(7)1-2-5(8)9/h1-3,6H2,(H,8,9)/i2D2
InChIKeyZGXJTSGNIOSYLO-CBTSVUPCSA-N
XLogP-0.62
TPSA80.39 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500133.14
LogP ≤ 5-0.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-amino-2,2-dideuterio-4-oxopentanoic acid?
The IUPAC name of 5-amino-2,2-dideuterio-4-oxopentanoic acid (CID 10986271) is 5-amino-2,2-dideuterio-4-oxopentanoic acid.
What is the SMILES notation for 5-amino-2,2-dideuterio-4-oxopentanoic acid?
The canonical SMILES for 5-amino-2,2-dideuterio-4-oxopentanoic acid is [2H]C([2H])(CC(=O)CN)C(=O)O.
What is the InChIKey of 5-amino-2,2-dideuterio-4-oxopentanoic acid?
The InChIKey is ZGXJTSGNIOSYLO-CBTSVUPCSA-N. The full InChI is InChI=1S/C5H9NO3/c6-3-4(7)1-2-5(8)9/h1-3,6H2,(H,8,9)/i2D2.
What are the key properties of 5-amino-2,2-dideuterio-4-oxopentanoic acid?
5-amino-2,2-dideuterio-4-oxopentanoic acid has a molecular weight of 133.14 g/mol, XLogP of -0.62, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-2,2-dideuterio-4-oxopentanoic acid is sourced from PubChem (CID 10986271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).