2-(1,3-dioxo-2-azaspiro[4.5]decan-2-yl)acetic acid

C11H15NO4 — CID 10036606

IUPAC2-(1,3-dioxo-2-azaspiro[4.5]decan-2-yl)acetic acid
SMILESO=C(O)CN1C(=O)CC2(CCCCC2)C1=O
InChIInChI=1S/C11H15NO4/c13-8-6-11(4-2-1-3-5-11)10(16)12(8)7-9(14)15/h1-7H2,(H,14,15)
InChIKeyCTCPRTIXYCWINZ-UHFFFAOYSA-N
MW225.24 g/mol
LogP0.78
Rot. Bonds2

About 2-(1,3-dioxo-2-azaspiro[4.5]decan-2-yl)acetic acid

2-(1,3-dioxo-2-azaspiro[4.5]decan-2-yl)acetic acid (PubChem CID 10036606) has the molecular formula C11H15NO4 and a molecular weight of 225.24 g/mol. Its IUPAC name is 2-(1,3-dioxo-2-azaspiro[4.5]decan-2-yl)acetic acid.

Molecular Properties

Compound Name2-(1,3-dioxo-2-azaspiro[4.5]decan-2-yl)acetic acid
PubChem CID10036606
Molecular FormulaC11H15NO4
Molecular Weight225.24 g/mol
Exact Mass225.10
IUPAC Name2-(1,3-dioxo-2-azaspiro[4.5]decan-2-yl)acetic acid
SMILESO=C(O)CN1C(=O)CC2(CCCCC2)C1=O
InChIInChI=1S/C11H15NO4/c13-8-6-11(4-2-1-3-5-11)10(16)12(8)7-9(14)15/h1-7H2,(H,14,15)
InChIKeyCTCPRTIXYCWINZ-UHFFFAOYSA-N
XLogP0.78
TPSA74.68 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
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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Frequently Asked Questions

What is the IUPAC name of 2-(1,3-dioxo-2-azaspiro[4.5]decan-2-yl)acetic acid?
The IUPAC name of 2-(1,3-dioxo-2-azaspiro[4.5]decan-2-yl)acetic acid (CID 10036606) is 2-(1,3-dioxo-2-azaspiro[4.5]decan-2-yl)acetic acid.
What is the SMILES notation for 2-(1,3-dioxo-2-azaspiro[4.5]decan-2-yl)acetic acid?
The canonical SMILES for 2-(1,3-dioxo-2-azaspiro[4.5]decan-2-yl)acetic acid is O=C(O)CN1C(=O)CC2(CCCCC2)C1=O.
What is the InChIKey of 2-(1,3-dioxo-2-azaspiro[4.5]decan-2-yl)acetic acid?
The InChIKey is CTCPRTIXYCWINZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO4/c13-8-6-11(4-2-1-3-5-11)10(16)12(8)7-9(14)15/h1-7H2,(H,14,15).
What are the key properties of 2-(1,3-dioxo-2-azaspiro[4.5]decan-2-yl)acetic acid?
2-(1,3-dioxo-2-azaspiro[4.5]decan-2-yl)acetic acid has a molecular weight of 225.24 g/mol, XLogP of 0.78, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,3-dioxo-2-azaspiro[4.5]decan-2-yl)acetic acid is sourced from PubChem (CID 10036606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).