3-(3-ethyl-4-oxopiperidin-1-yl)-2-hydroxy-2-methylpropanoic acid

C11H19NO4 — CID 114509649

IUPAC3-(3-ethyl-4-oxopiperidin-1-yl)-2-hydroxy-2-methylpropanoic acid
SMILESCCC1CN(CC(C)(O)C(=O)O)CCC1=O
InChIInChI=1S/C11H19NO4/c1-3-8-6-12(5-4-9(8)13)7-11(2,16)10(14)15/h8,16H,3-7H2,1-2H3,(H,14,15)
InChIKeyATEPBBCJPLJEQX-UHFFFAOYSA-N
MW229.28 g/mol
LogP0.12
Rot. Bonds4

About 3-(3-ethyl-4-oxopiperidin-1-yl)-2-hydroxy-2-methylpropanoic acid

3-(3-ethyl-4-oxopiperidin-1-yl)-2-hydroxy-2-methylpropanoic acid (PubChem CID 114509649) has the molecular formula C11H19NO4 and a molecular weight of 229.28 g/mol. Its IUPAC name is 3-(3-ethyl-4-oxopiperidin-1-yl)-2-hydroxy-2-methylpropanoic acid.

Molecular Properties

Compound Name3-(3-ethyl-4-oxopiperidin-1-yl)-2-hydroxy-2-methylpropanoic acid
PubChem CID114509649
Molecular FormulaC11H19NO4
Molecular Weight229.28 g/mol
Exact Mass229.13
IUPAC Name3-(3-ethyl-4-oxopiperidin-1-yl)-2-hydroxy-2-methylpropanoic acid
SMILESCCC1CN(CC(C)(O)C(=O)O)CCC1=O
InChIInChI=1S/C11H19NO4/c1-3-8-6-12(5-4-9(8)13)7-11(2,16)10(14)15/h8,16H,3-7H2,1-2H3,(H,14,15)
InChIKeyATEPBBCJPLJEQX-UHFFFAOYSA-N
XLogP0.12
TPSA77.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.28
LogP ≤ 50.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-(3-ethyl-4-oxopiperidin-1-yl)propanoic acid
CID 114509620
3-ethyl-1-(3-hydroxy-3-methylbutyl)piperidin-4-one
CID 114508829
3-ethyl-1-(2-hydroxyethyl)piperidin-4-one
CID 114508617
3-(3-tert-butylazetidin-1-yl)-2-hydroxy-2-methylpropanoic acid
CID 79689744
methyl 2-(3-ethyl-4-oxopiperidin-1-yl)acetate
CID 114509007
N-ethyl-2-(3-ethyl-4-oxopiperidin-1-yl)-N-methylacetamide
CID 114508729
3-ethyl-1-(2-oxopentyl)piperidin-4-one
CID 114509766
3-(4,5-dimethyl-3,6-dihydro-2H-pyridin-1-yl)-2-hydroxy-2-methylpropanoic acid
CID 131140839
3-ethyl-1-(2-hydroxybutyl)piperidin-4-one
CID 114508808
butyl 2-(3-ethyl-4-oxopiperidin-1-yl)acetate
CID 114508947
3-ethyl-1-(2-oxo-3-phenylpropyl)piperidin-4-one
CID 114509764
(3R)-3-ethyl-1-(2-methoxyethyl)piperidin-4-one
CID 129380797

Frequently Asked Questions

What is the IUPAC name of 3-(3-ethyl-4-oxopiperidin-1-yl)-2-hydroxy-2-methylpropanoic acid?
The IUPAC name of 3-(3-ethyl-4-oxopiperidin-1-yl)-2-hydroxy-2-methylpropanoic acid (CID 114509649) is 3-(3-ethyl-4-oxopiperidin-1-yl)-2-hydroxy-2-methylpropanoic acid.
What is the SMILES notation for 3-(3-ethyl-4-oxopiperidin-1-yl)-2-hydroxy-2-methylpropanoic acid?
The canonical SMILES for 3-(3-ethyl-4-oxopiperidin-1-yl)-2-hydroxy-2-methylpropanoic acid is CCC1CN(CC(C)(O)C(=O)O)CCC1=O.
What is the InChIKey of 3-(3-ethyl-4-oxopiperidin-1-yl)-2-hydroxy-2-methylpropanoic acid?
The InChIKey is ATEPBBCJPLJEQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NO4/c1-3-8-6-12(5-4-9(8)13)7-11(2,16)10(14)15/h8,16H,3-7H2,1-2H3,(H,14,15).
What are the key properties of 3-(3-ethyl-4-oxopiperidin-1-yl)-2-hydroxy-2-methylpropanoic acid?
3-(3-ethyl-4-oxopiperidin-1-yl)-2-hydroxy-2-methylpropanoic acid has a molecular weight of 229.28 g/mol, XLogP of 0.12, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-ethyl-4-oxopiperidin-1-yl)-2-hydroxy-2-methylpropanoic acid is sourced from PubChem (CID 114509649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).