3-(4,4-dimethyl-2,6-dioxopiperidin-1-yl)-2-hydroxypropanoic acid

C10H15NO5 — CID 66165467

IUPAC3-(4,4-dimethyl-2,6-dioxopiperidin-1-yl)-2-hydroxypropanoic acid
SMILESCC1(C)CC(=O)N(CC(O)C(=O)O)C(=O)C1
InChIInChI=1S/C10H15NO5/c1-10(2)3-7(13)11(8(14)4-10)5-6(12)9(15)16/h6,12H,3-5H2,1-2H3,(H,15,16)
InChIKeyKHNQVVSWXUMBSY-UHFFFAOYSA-N
MW229.23 g/mol
LogP-0.39
Rot. Bonds3

About 3-(4,4-dimethyl-2,6-dioxopiperidin-1-yl)-2-hydroxypropanoic acid

3-(4,4-dimethyl-2,6-dioxopiperidin-1-yl)-2-hydroxypropanoic acid (PubChem CID 66165467) has the molecular formula C10H15NO5 and a molecular weight of 229.23 g/mol. Its IUPAC name is 3-(4,4-dimethyl-2,6-dioxopiperidin-1-yl)-2-hydroxypropanoic acid.

Molecular Properties

Compound Name3-(4,4-dimethyl-2,6-dioxopiperidin-1-yl)-2-hydroxypropanoic acid
PubChem CID66165467
Molecular FormulaC10H15NO5
Molecular Weight229.23 g/mol
Exact Mass229.10
IUPAC Name3-(4,4-dimethyl-2,6-dioxopiperidin-1-yl)-2-hydroxypropanoic acid
SMILESCC1(C)CC(=O)N(CC(O)C(=O)O)C(=O)C1
InChIInChI=1S/C10H15NO5/c1-10(2)3-7(13)11(8(14)4-10)5-6(12)9(15)16/h6,12H,3-5H2,1-2H3,(H,15,16)
InChIKeyKHNQVVSWXUMBSY-UHFFFAOYSA-N
XLogP-0.39
TPSA94.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.23
LogP ≤ 5-0.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

Analyze 3-(4,4-dimethyl-2,6-dioxopiperidin-1-yl)-2-hydroxypropanoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-(4,4-dimethyl-2,6-dioxopiperidin-1-yl)-2-hydroxypropanoic acid?
The IUPAC name of 3-(4,4-dimethyl-2,6-dioxopiperidin-1-yl)-2-hydroxypropanoic acid (CID 66165467) is 3-(4,4-dimethyl-2,6-dioxopiperidin-1-yl)-2-hydroxypropanoic acid.
What is the SMILES notation for 3-(4,4-dimethyl-2,6-dioxopiperidin-1-yl)-2-hydroxypropanoic acid?
The canonical SMILES for 3-(4,4-dimethyl-2,6-dioxopiperidin-1-yl)-2-hydroxypropanoic acid is CC1(C)CC(=O)N(CC(O)C(=O)O)C(=O)C1.
What is the InChIKey of 3-(4,4-dimethyl-2,6-dioxopiperidin-1-yl)-2-hydroxypropanoic acid?
The InChIKey is KHNQVVSWXUMBSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NO5/c1-10(2)3-7(13)11(8(14)4-10)5-6(12)9(15)16/h6,12H,3-5H2,1-2H3,(H,15,16).
What are the key properties of 3-(4,4-dimethyl-2,6-dioxopiperidin-1-yl)-2-hydroxypropanoic acid?
3-(4,4-dimethyl-2,6-dioxopiperidin-1-yl)-2-hydroxypropanoic acid has a molecular weight of 229.23 g/mol, XLogP of -0.39, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4,4-dimethyl-2,6-dioxopiperidin-1-yl)-2-hydroxypropanoic acid is sourced from PubChem (CID 66165467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).