4-[(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)methoxy]-4-oxobutanoic acid

C14H25NO5 — CID 151524547

IUPAC4-[(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)methoxy]-4-oxobutanoic acid
SMILESCC1(C)CC(COC(=O)CCC(=O)O)CC(C)(C)N1O
InChIInChI=1S/C14H25NO5/c1-13(2)7-10(8-14(3,4)15(13)19)9-20-12(18)6-5-11(16)17/h10,19H,5-9H2,1-4H3,(H,16,17)
InChIKeyPVEGFDGQZUKIJN-UHFFFAOYSA-N
MW287.36 g/mol
LogP2.05
Rot. Bonds5

About 4-[(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)methoxy]-4-oxobutanoic acid

4-[(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)methoxy]-4-oxobutanoic acid (PubChem CID 151524547) has the molecular formula C14H25NO5 and a molecular weight of 287.36 g/mol. Its IUPAC name is 4-[(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)methoxy]-4-oxobutanoic acid.

Molecular Properties

Compound Name4-[(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)methoxy]-4-oxobutanoic acid
PubChem CID151524547
Molecular FormulaC14H25NO5
Molecular Weight287.36 g/mol
Exact Mass287.17
IUPAC Name4-[(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)methoxy]-4-oxobutanoic acid
SMILESCC1(C)CC(COC(=O)CCC(=O)O)CC(C)(C)N1O
InChIInChI=1S/C14H25NO5/c1-13(2)7-10(8-14(3,4)15(13)19)9-20-12(18)6-5-11(16)17/h10,19H,5-9H2,1-4H3,(H,16,17)
InChIKeyPVEGFDGQZUKIJN-UHFFFAOYSA-N
XLogP2.05
TPSA87.07 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.36
LogP ≤ 52.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

10-(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)oxy-10-oxodecanoic acid
CID 66790279
2-[2-(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)ethoxy]-2-oxoacetic acid
CID 151971487
2-(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)acetamide
CID 66687478
4-O-[2-[4-(4-methoxybutanoyloxymethyl)-2,2,6,6-tetramethylpiperidin-1-yl]ethyl] 1-O-[2-[4-(methoxymethyl)-2,2,6,6-tetramethylpiperidin-1-yl]ethyl] butanedioate
CID 22900076
bis(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl) hexanedioate
CID 57039687
4-(1-ethyl-2,2,6,6-tetramethylpiperidin-4-yl)oxy-4-oxobutanoic acid
CID 67533775
CID 163897678
CID 163897678
2-[(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)-methylamino]acetic acid
CID 54019631
1-hydroxy-4-[2-[(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)methylperoxy]ethylperoxy]-2,2,6,6-tetramethylpiperidine
CID 22892218
1-(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)oxy-2,2,6,6-tetramethylpiperidin-4-amine
CID 91459045
(1-chloro-2,2,6,6-tetramethylpiperidin-4-yl)methyl prop-2-enoate
CID 141256666
[formyl-(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)carbamoyl]oxymethyl N-formyl-N-(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)carbamate
CID 22892224

Frequently Asked Questions

What is the IUPAC name of 4-[(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)methoxy]-4-oxobutanoic acid?
The IUPAC name of 4-[(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)methoxy]-4-oxobutanoic acid (CID 151524547) is 4-[(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)methoxy]-4-oxobutanoic acid.
What is the SMILES notation for 4-[(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)methoxy]-4-oxobutanoic acid?
The canonical SMILES for 4-[(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)methoxy]-4-oxobutanoic acid is CC1(C)CC(COC(=O)CCC(=O)O)CC(C)(C)N1O.
What is the InChIKey of 4-[(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)methoxy]-4-oxobutanoic acid?
The InChIKey is PVEGFDGQZUKIJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25NO5/c1-13(2)7-10(8-14(3,4)15(13)19)9-20-12(18)6-5-11(16)17/h10,19H,5-9H2,1-4H3,(H,16,17).
What are the key properties of 4-[(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)methoxy]-4-oxobutanoic acid?
4-[(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)methoxy]-4-oxobutanoic acid has a molecular weight of 287.36 g/mol, XLogP of 2.05, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)methoxy]-4-oxobutanoic acid is sourced from PubChem (CID 151524547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).