2-(2,4-dioxo-3-azaspiro[5.5]undecan-3-yl)-2-methylpentanoic acid

C16H25NO4 — CID 43804772

IUPAC2-(2,4-dioxo-3-azaspiro[5.5]undecan-3-yl)-2-methylpentanoic acid
SMILESCCCC(C)(C(=O)O)N1C(=O)CC2(CCCCC2)CC1=O
InChIInChI=1S/C16H25NO4/c1-3-7-15(2,14(20)21)17-12(18)10-16(11-13(17)19)8-5-4-6-9-16/h3-11H2,1-2H3,(H,20,21)
InChIKeyYRRIZMBIYGYSMM-UHFFFAOYSA-N
MW295.38 g/mol
LogP2.73
Rot. Bonds4

About 2-(2,4-dioxo-3-azaspiro[5.5]undecan-3-yl)-2-methylpentanoic acid

2-(2,4-dioxo-3-azaspiro[5.5]undecan-3-yl)-2-methylpentanoic acid (PubChem CID 43804772) has the molecular formula C16H25NO4 and a molecular weight of 295.38 g/mol. Its IUPAC name is 2-(2,4-dioxo-3-azaspiro[5.5]undecan-3-yl)-2-methylpentanoic acid.

Molecular Properties

Compound Name2-(2,4-dioxo-3-azaspiro[5.5]undecan-3-yl)-2-methylpentanoic acid
PubChem CID43804772
Molecular FormulaC16H25NO4
Molecular Weight295.38 g/mol
Exact Mass295.18
IUPAC Name2-(2,4-dioxo-3-azaspiro[5.5]undecan-3-yl)-2-methylpentanoic acid
SMILESCCCC(C)(C(=O)O)N1C(=O)CC2(CCCCC2)CC1=O
InChIInChI=1S/C16H25NO4/c1-3-7-15(2,14(20)21)17-12(18)10-16(11-13(17)19)8-5-4-6-9-16/h3-11H2,1-2H3,(H,20,21)
InChIKeyYRRIZMBIYGYSMM-UHFFFAOYSA-N
XLogP2.73
TPSA74.68 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.38
LogP ≤ 52.73
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-(2,4-dioxo-3-azaspiro[5.5]undecan-3-yl)-2-methylpentanoic acid?
The IUPAC name of 2-(2,4-dioxo-3-azaspiro[5.5]undecan-3-yl)-2-methylpentanoic acid (CID 43804772) is 2-(2,4-dioxo-3-azaspiro[5.5]undecan-3-yl)-2-methylpentanoic acid.
What is the SMILES notation for 2-(2,4-dioxo-3-azaspiro[5.5]undecan-3-yl)-2-methylpentanoic acid?
The canonical SMILES for 2-(2,4-dioxo-3-azaspiro[5.5]undecan-3-yl)-2-methylpentanoic acid is CCCC(C)(C(=O)O)N1C(=O)CC2(CCCCC2)CC1=O.
What is the InChIKey of 2-(2,4-dioxo-3-azaspiro[5.5]undecan-3-yl)-2-methylpentanoic acid?
The InChIKey is YRRIZMBIYGYSMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO4/c1-3-7-15(2,14(20)21)17-12(18)10-16(11-13(17)19)8-5-4-6-9-16/h3-11H2,1-2H3,(H,20,21).
What are the key properties of 2-(2,4-dioxo-3-azaspiro[5.5]undecan-3-yl)-2-methylpentanoic acid?
2-(2,4-dioxo-3-azaspiro[5.5]undecan-3-yl)-2-methylpentanoic acid has a molecular weight of 295.38 g/mol, XLogP of 2.73, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-dioxo-3-azaspiro[5.5]undecan-3-yl)-2-methylpentanoic acid is sourced from PubChem (CID 43804772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).