2-cyclopropyl-2-(2,6-dioxopiperidin-1-yl)propanoic acid

C11H15NO4 — CID 61345098

IUPAC2-cyclopropyl-2-(2,6-dioxopiperidin-1-yl)propanoic acid
SMILESCC(C(=O)O)(C1CC1)N1C(=O)CCCC1=O
InChIInChI=1S/C11H15NO4/c1-11(10(15)16,7-5-6-7)12-8(13)3-2-4-9(12)14/h7H,2-6H2,1H3,(H,15,16)
InChIKeyXWKNGNSMXQBSJC-UHFFFAOYSA-N
MW225.24 g/mol
LogP0.78
Rot. Bonds3

About 2-cyclopropyl-2-(2,6-dioxopiperidin-1-yl)propanoic acid

2-cyclopropyl-2-(2,6-dioxopiperidin-1-yl)propanoic acid (PubChem CID 61345098) has the molecular formula C11H15NO4 and a molecular weight of 225.24 g/mol. Its IUPAC name is 2-cyclopropyl-2-(2,6-dioxopiperidin-1-yl)propanoic acid.

Molecular Properties

Compound Name2-cyclopropyl-2-(2,6-dioxopiperidin-1-yl)propanoic acid
PubChem CID61345098
Molecular FormulaC11H15NO4
Molecular Weight225.24 g/mol
Exact Mass225.10
IUPAC Name2-cyclopropyl-2-(2,6-dioxopiperidin-1-yl)propanoic acid
SMILESCC(C(=O)O)(C1CC1)N1C(=O)CCCC1=O
InChIInChI=1S/C11H15NO4/c1-11(10(15)16,7-5-6-7)12-8(13)3-2-4-9(12)14/h7H,2-6H2,1H3,(H,15,16)
InChIKeyXWKNGNSMXQBSJC-UHFFFAOYSA-N
XLogP0.78
TPSA74.68 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.24
LogP ≤ 50.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

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CID 61344571
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2-cyclopropyl-2-(3,5-dioxo-1,2,4-triazolidin-4-yl)propanoic acid
CID 107409501
2-cyclopropyl-2-(2,5-dihydropyrrol-1-yl)propanoic acid
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3-(2,7-dioxoazepan-1-yl)-3-methylbutanoic acid
CID 64700178
2-cyclopropyl-2-(4-methyl-2-oxo-1,3-thiazol-3-yl)propanoic acid
CID 82236510
2-cyclopropyl-2-(4,4-dimethylpiperidin-1-yl)propanoic acid
CID 82237816
2-cyclopropyl-2-(2,6-dimethylmorpholin-4-yl)propanoic acid
CID 114988393
2-cyclopropyl-2-(4-methyl-6-oxopyrimidin-1-yl)propanoic acid
CID 82236508
2-cyclopropyl-2-(3-methylmorpholin-4-yl)propanoic acid
CID 82236437
2-cyclopropyl-2-(4-methoxypiperidin-1-yl)propanoic acid
CID 82238527
1-[2-(2,5-dioxopyrrolidin-1-yl)butan-2-yl]piperidine-2,6-dione
CID 138667500

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-2-(2,6-dioxopiperidin-1-yl)propanoic acid?
The IUPAC name of 2-cyclopropyl-2-(2,6-dioxopiperidin-1-yl)propanoic acid (CID 61345098) is 2-cyclopropyl-2-(2,6-dioxopiperidin-1-yl)propanoic acid.
What is the SMILES notation for 2-cyclopropyl-2-(2,6-dioxopiperidin-1-yl)propanoic acid?
The canonical SMILES for 2-cyclopropyl-2-(2,6-dioxopiperidin-1-yl)propanoic acid is CC(C(=O)O)(C1CC1)N1C(=O)CCCC1=O.
What is the InChIKey of 2-cyclopropyl-2-(2,6-dioxopiperidin-1-yl)propanoic acid?
The InChIKey is XWKNGNSMXQBSJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO4/c1-11(10(15)16,7-5-6-7)12-8(13)3-2-4-9(12)14/h7H,2-6H2,1H3,(H,15,16).
What are the key properties of 2-cyclopropyl-2-(2,6-dioxopiperidin-1-yl)propanoic acid?
2-cyclopropyl-2-(2,6-dioxopiperidin-1-yl)propanoic acid has a molecular weight of 225.24 g/mol, XLogP of 0.78, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-2-(2,6-dioxopiperidin-1-yl)propanoic acid is sourced from PubChem (CID 61345098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).