2-cyclohexyl-2-(2,6-dioxopiperidin-1-yl)acetic acid

C13H19NO4 — CID 54901543

IUPAC2-cyclohexyl-2-(2,6-dioxopiperidin-1-yl)acetic acid
SMILESO=C(O)C(C1CCCCC1)N1C(=O)CCCC1=O
InChIInChI=1S/C13H19NO4/c15-10-7-4-8-11(16)14(10)12(13(17)18)9-5-2-1-3-6-9/h9,12H,1-8H2,(H,17,18)
InChIKeyXWJVWXIJMMRAEX-UHFFFAOYSA-N
MW253.30 g/mol
LogP1.56
Rot. Bonds3

About 2-cyclohexyl-2-(2,6-dioxopiperidin-1-yl)acetic acid

2-cyclohexyl-2-(2,6-dioxopiperidin-1-yl)acetic acid (PubChem CID 54901543) has the molecular formula C13H19NO4 and a molecular weight of 253.30 g/mol. Its IUPAC name is 2-cyclohexyl-2-(2,6-dioxopiperidin-1-yl)acetic acid.

Molecular Properties

Compound Name2-cyclohexyl-2-(2,6-dioxopiperidin-1-yl)acetic acid
PubChem CID54901543
Molecular FormulaC13H19NO4
Molecular Weight253.30 g/mol
Exact Mass253.13
IUPAC Name2-cyclohexyl-2-(2,6-dioxopiperidin-1-yl)acetic acid
SMILESO=C(O)C(C1CCCCC1)N1C(=O)CCCC1=O
InChIInChI=1S/C13H19NO4/c15-10-7-4-8-11(16)14(10)12(13(17)18)9-5-2-1-3-6-9/h9,12H,1-8H2,(H,17,18)
InChIKeyXWJVWXIJMMRAEX-UHFFFAOYSA-N
XLogP1.56
TPSA74.68 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.30
LogP ≤ 51.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-cyclohexyl-2-(2,6-dioxopiperidin-1-yl)acetic acid?
The IUPAC name of 2-cyclohexyl-2-(2,6-dioxopiperidin-1-yl)acetic acid (CID 54901543) is 2-cyclohexyl-2-(2,6-dioxopiperidin-1-yl)acetic acid.
What is the SMILES notation for 2-cyclohexyl-2-(2,6-dioxopiperidin-1-yl)acetic acid?
The canonical SMILES for 2-cyclohexyl-2-(2,6-dioxopiperidin-1-yl)acetic acid is O=C(O)C(C1CCCCC1)N1C(=O)CCCC1=O.
What is the InChIKey of 2-cyclohexyl-2-(2,6-dioxopiperidin-1-yl)acetic acid?
The InChIKey is XWJVWXIJMMRAEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO4/c15-10-7-4-8-11(16)14(10)12(13(17)18)9-5-2-1-3-6-9/h9,12H,1-8H2,(H,17,18).
What are the key properties of 2-cyclohexyl-2-(2,6-dioxopiperidin-1-yl)acetic acid?
2-cyclohexyl-2-(2,6-dioxopiperidin-1-yl)acetic acid has a molecular weight of 253.30 g/mol, XLogP of 1.56, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohexyl-2-(2,6-dioxopiperidin-1-yl)acetic acid is sourced from PubChem (CID 54901543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).