3-oxo-3-(2,2,6,6-tetramethylpiperidin-1-id-4-yl)oxypropanoic acid;yttrium

C12H20NO4Y- — CID 58729950

IUPAC3-oxo-3-(2,2,6,6-tetramethylpiperidin-1-id-4-yl)oxypropanoic acid;yttrium
SMILESCC1(C)CC(OC(=O)CC(=O)O)CC(C)(C)[N-]1.[Y]
InChIInChI=1S/C12H20NO4.Y/c1-11(2)6-8(7-12(3,4)13-11)17-10(16)5-9(14)15;/h8H,5-7H2,1-4H3,(H,14,15);/q-1;
InChIKeyVQQVHJAUHPWQBK-UHFFFAOYSA-N
MW331.20 g/mol
LogP2.10
Rot. Bonds3

About 3-oxo-3-(2,2,6,6-tetramethylpiperidin-1-id-4-yl)oxypropanoic acid;yttrium

3-oxo-3-(2,2,6,6-tetramethylpiperidin-1-id-4-yl)oxypropanoic acid;yttrium (PubChem CID 58729950) has the molecular formula C12H20NO4Y- and a molecular weight of 331.20 g/mol. Its IUPAC name is 3-oxo-3-(2,2,6,6-tetramethylpiperidin-1-id-4-yl)oxypropanoic acid;yttrium.

Molecular Properties

Compound Name3-oxo-3-(2,2,6,6-tetramethylpiperidin-1-id-4-yl)oxypropanoic acid;yttrium
PubChem CID58729950
Molecular FormulaC12H20NO4Y-
Molecular Weight331.20 g/mol
Exact Mass331.05
IUPAC Name3-oxo-3-(2,2,6,6-tetramethylpiperidin-1-id-4-yl)oxypropanoic acid;yttrium
SMILESCC1(C)CC(OC(=O)CC(=O)O)CC(C)(C)[N-]1.[Y]
InChIInChI=1S/C12H20NO4.Y/c1-11(2)6-8(7-12(3,4)13-11)17-10(16)5-9(14)15;/h8H,5-7H2,1-4H3,(H,14,15);/q-1;
InChIKeyVQQVHJAUHPWQBK-UHFFFAOYSA-N
XLogP2.10
TPSA77.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.20
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

(1-Hydroxy-2,2,6,6-tetramethylpiperidin-4-yl) 3-ethoxy-2,2-dimethylpropanoate
CID 11185705
2-Ethyl-2-(2,2,6,6-tetramethylpiperidin-4-yl)oxycarbonylbutanoic acid
CID 17923219
3-(1,2,2,6,6-Pentamethylpiperidin-4-yl)oxypropanoic acid
CID 20284723
3-Oxo-3-(2,2,6,6-tetramethylpiperidin-4-yl)oxypropanoic acid
CID 20304922
3-O-[(4-hydroxy-2,2,6,6-tetramethylpiperidin-1-yl)methyl] 1-O-methyl propanedioate
CID 21136454
Methyl 3-(4-hydroxy-2,2,6,6-tetramethylpiperidin-1-yl)oxypropanoate
CID 23168495
3-(1-Hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)oxypropanoic acid
CID 23533064
1-O-methyl 3-O-(1,2,2,6,6-pentamethylpiperidin-4-yl) propanedioate
CID 54549901
(1-Hydroxy-2,2,6,6-tetramethylpiperidin-4-yl) 3-oxobutanoate
CID 57240862
1-O-methyl 3-O-(2,2,6,6-tetramethylpiperidin-4-yl) propanedioate
CID 57567750
3-[3-(1,2,2,6,6-Pentamethylpiperidin-4-yl)oxypropanoyloxy]propanoic acid
CID 58330646
Dimethyl 2-[(4-hydroxy-2,2,6,6-tetramethylpiperidin-1-yl)oxymethyl]propanedioate
CID 58369883

Frequently Asked Questions

What is the IUPAC name of 3-oxo-3-(2,2,6,6-tetramethylpiperidin-1-id-4-yl)oxypropanoic acid;yttrium?
The IUPAC name of 3-oxo-3-(2,2,6,6-tetramethylpiperidin-1-id-4-yl)oxypropanoic acid;yttrium (CID 58729950) is 3-oxo-3-(2,2,6,6-tetramethylpiperidin-1-id-4-yl)oxypropanoic acid;yttrium.
What is the SMILES notation for 3-oxo-3-(2,2,6,6-tetramethylpiperidin-1-id-4-yl)oxypropanoic acid;yttrium?
The canonical SMILES for 3-oxo-3-(2,2,6,6-tetramethylpiperidin-1-id-4-yl)oxypropanoic acid;yttrium is CC1(C)CC(OC(=O)CC(=O)O)CC(C)(C)[N-]1.[Y].
What is the InChIKey of 3-oxo-3-(2,2,6,6-tetramethylpiperidin-1-id-4-yl)oxypropanoic acid;yttrium?
The InChIKey is VQQVHJAUHPWQBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20NO4.Y/c1-11(2)6-8(7-12(3,4)13-11)17-10(16)5-9(14)15;/h8H,5-7H2,1-4H3,(H,14,15);/q-1;.
What are the key properties of 3-oxo-3-(2,2,6,6-tetramethylpiperidin-1-id-4-yl)oxypropanoic acid;yttrium?
3-oxo-3-(2,2,6,6-tetramethylpiperidin-1-id-4-yl)oxypropanoic acid;yttrium has a molecular weight of 331.20 g/mol, XLogP of 2.10, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-oxo-3-(2,2,6,6-tetramethylpiperidin-1-id-4-yl)oxypropanoic acid;yttrium is sourced from PubChem (CID 58729950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).