3-oxo-3-(2,2,6,6-tetramethylpiperidin-1-yl)oxypropanoic acid

C12H21NO4 — CID 134897882

IUPAC3-oxo-3-(2,2,6,6-tetramethylpiperidin-1-yl)oxypropanoic acid
SMILESCC1(C)CCCC(C)(C)N1OC(=O)CC(=O)O
InChIInChI=1S/C12H21NO4/c1-11(2)6-5-7-12(3,4)13(11)17-10(16)8-9(14)15/h5-8H2,1-4H3,(H,14,15)
InChIKeyDQNRNUNFEZAIOC-UHFFFAOYSA-N
MW243.30 g/mol
LogP1.96
Rot. Bonds3

About 3-oxo-3-(2,2,6,6-tetramethylpiperidin-1-yl)oxypropanoic acid

3-oxo-3-(2,2,6,6-tetramethylpiperidin-1-yl)oxypropanoic acid (PubChem CID 134897882) has the molecular formula C12H21NO4 and a molecular weight of 243.30 g/mol. Its IUPAC name is 3-oxo-3-(2,2,6,6-tetramethylpiperidin-1-yl)oxypropanoic acid.

Molecular Properties

Compound Name3-oxo-3-(2,2,6,6-tetramethylpiperidin-1-yl)oxypropanoic acid
PubChem CID134897882
Molecular FormulaC12H21NO4
Molecular Weight243.30 g/mol
Exact Mass243.15
IUPAC Name3-oxo-3-(2,2,6,6-tetramethylpiperidin-1-yl)oxypropanoic acid
SMILESCC1(C)CCCC(C)(C)N1OC(=O)CC(=O)O
InChIInChI=1S/C12H21NO4/c1-11(2)6-5-7-12(3,4)13(11)17-10(16)8-9(14)15/h5-8H2,1-4H3,(H,14,15)
InChIKeyDQNRNUNFEZAIOC-UHFFFAOYSA-N
XLogP1.96
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.30
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-oxo-3-(2,2,6,6-tetramethylpiperidin-1-yl)oxypropanoic acid?
The IUPAC name of 3-oxo-3-(2,2,6,6-tetramethylpiperidin-1-yl)oxypropanoic acid (CID 134897882) is 3-oxo-3-(2,2,6,6-tetramethylpiperidin-1-yl)oxypropanoic acid.
What is the SMILES notation for 3-oxo-3-(2,2,6,6-tetramethylpiperidin-1-yl)oxypropanoic acid?
The canonical SMILES for 3-oxo-3-(2,2,6,6-tetramethylpiperidin-1-yl)oxypropanoic acid is CC1(C)CCCC(C)(C)N1OC(=O)CC(=O)O.
What is the InChIKey of 3-oxo-3-(2,2,6,6-tetramethylpiperidin-1-yl)oxypropanoic acid?
The InChIKey is DQNRNUNFEZAIOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21NO4/c1-11(2)6-5-7-12(3,4)13(11)17-10(16)8-9(14)15/h5-8H2,1-4H3,(H,14,15).
What are the key properties of 3-oxo-3-(2,2,6,6-tetramethylpiperidin-1-yl)oxypropanoic acid?
3-oxo-3-(2,2,6,6-tetramethylpiperidin-1-yl)oxypropanoic acid has a molecular weight of 243.30 g/mol, XLogP of 1.96, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-oxo-3-(2,2,6,6-tetramethylpiperidin-1-yl)oxypropanoic acid is sourced from PubChem (CID 134897882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).