5-amino-3,3,5,5-tetradeuterio-4-oxopentanoic acid

C5H9NO3 — CID 118718878

IUPAC5-amino-3,3,5,5-tetradeuterio-4-oxopentanoic acid
SMILES[2H]C([2H])(N)C(=O)C([2H])([2H])CC(=O)O
InChIInChI=1S/C5H9NO3/c6-3-4(7)1-2-5(8)9/h1-3,6H2,(H,8,9)/i1D2,3D2
InChIKeyZGXJTSGNIOSYLO-VEPVEJTGSA-N
MW135.16 g/mol
LogP-0.62
Rot. Bonds4

About 5-amino-3,3,5,5-tetradeuterio-4-oxopentanoic acid

5-amino-3,3,5,5-tetradeuterio-4-oxopentanoic acid (PubChem CID 118718878) has the molecular formula C5H9NO3 and a molecular weight of 135.16 g/mol. Its IUPAC name is 5-amino-3,3,5,5-tetradeuterio-4-oxopentanoic acid.

Molecular Properties

Compound Name5-amino-3,3,5,5-tetradeuterio-4-oxopentanoic acid
PubChem CID118718878
Molecular FormulaC5H9NO3
Molecular Weight135.16 g/mol
Exact Mass135.08
IUPAC Name5-amino-3,3,5,5-tetradeuterio-4-oxopentanoic acid
SMILES[2H]C([2H])(N)C(=O)C([2H])([2H])CC(=O)O
InChIInChI=1S/C5H9NO3/c6-3-4(7)1-2-5(8)9/h1-3,6H2,(H,8,9)/i1D2,3D2
InChIKeyZGXJTSGNIOSYLO-VEPVEJTGSA-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 ≤ 500135.16
LogP ≤ 5-0.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-Aminolevulinic Acid
CID 137
Aminolevulinic Acid Hydrochloride
CID 123608
5-Aminovaleric acid
CID 138
Methyl Aminolevulinate Hydrochloride
CID 157921
5-Azaniumyl-4-oxopentanoate
CID 7048523
Methyl Aminolevulinate
CID 157922
5-Amino-2-oxopentanoic acid
CID 439402
Methyl 5-amino-4-oxovalerate hydrochloride
CID 3036828
Aminolevulinic acid phosphate
CID 24737828
5-Ammoniolevulinic acid
CID 12087606
CID 16722119
CID 16722119
Delta-Amino Valeric Acid
CID 449593

Frequently Asked Questions

What is the IUPAC name of 5-amino-3,3,5,5-tetradeuterio-4-oxopentanoic acid?
The IUPAC name of 5-amino-3,3,5,5-tetradeuterio-4-oxopentanoic acid (CID 118718878) is 5-amino-3,3,5,5-tetradeuterio-4-oxopentanoic acid.
What is the SMILES notation for 5-amino-3,3,5,5-tetradeuterio-4-oxopentanoic acid?
The canonical SMILES for 5-amino-3,3,5,5-tetradeuterio-4-oxopentanoic acid is [2H]C([2H])(N)C(=O)C([2H])([2H])CC(=O)O.
What is the InChIKey of 5-amino-3,3,5,5-tetradeuterio-4-oxopentanoic acid?
The InChIKey is ZGXJTSGNIOSYLO-VEPVEJTGSA-N. The full InChI is InChI=1S/C5H9NO3/c6-3-4(7)1-2-5(8)9/h1-3,6H2,(H,8,9)/i1D2,3D2.
What are the key properties of 5-amino-3,3,5,5-tetradeuterio-4-oxopentanoic acid?
5-amino-3,3,5,5-tetradeuterio-4-oxopentanoic acid has a molecular weight of 135.16 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-3,3,5,5-tetradeuterio-4-oxopentanoic acid is sourced from PubChem (CID 118718878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).