2-[2-(1,3-dioxo-2-azaspiro[4.6]undecan-2-yl)ethoxy]acetic acid

C14H21NO5 — CID 79456834

IUPAC2-[2-(1,3-dioxo-2-azaspiro[4.6]undecan-2-yl)ethoxy]acetic acid
SMILESO=C(O)COCCN1C(=O)CC2(CCCCCC2)C1=O
InChIInChI=1S/C14H21NO5/c16-11-9-14(5-3-1-2-4-6-14)13(19)15(11)7-8-20-10-12(17)18/h1-10H2,(H,17,18)
InChIKeyGQQAFQGPLBWZGH-UHFFFAOYSA-N
MW283.32 g/mol
LogP1.19
Rot. Bonds5

About 2-[2-(1,3-dioxo-2-azaspiro[4.6]undecan-2-yl)ethoxy]acetic acid

2-[2-(1,3-dioxo-2-azaspiro[4.6]undecan-2-yl)ethoxy]acetic acid (PubChem CID 79456834) has the molecular formula C14H21NO5 and a molecular weight of 283.32 g/mol. Its IUPAC name is 2-[2-(1,3-dioxo-2-azaspiro[4.6]undecan-2-yl)ethoxy]acetic acid.

Molecular Properties

Compound Name2-[2-(1,3-dioxo-2-azaspiro[4.6]undecan-2-yl)ethoxy]acetic acid
PubChem CID79456834
Molecular FormulaC14H21NO5
Molecular Weight283.32 g/mol
Exact Mass283.14
IUPAC Name2-[2-(1,3-dioxo-2-azaspiro[4.6]undecan-2-yl)ethoxy]acetic acid
SMILESO=C(O)COCCN1C(=O)CC2(CCCCCC2)C1=O
InChIInChI=1S/C14H21NO5/c16-11-9-14(5-3-1-2-4-6-14)13(19)15(11)7-8-20-10-12(17)18/h1-10H2,(H,17,18)
InChIKeyGQQAFQGPLBWZGH-UHFFFAOYSA-N
XLogP1.19
TPSA83.91 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.32
LogP ≤ 51.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-[2-(1,3-dioxo-2-azaspiro[4.6]undecan-2-yl)ethoxy]acetic 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 2-[2-(1,3-dioxo-2-azaspiro[4.6]undecan-2-yl)ethoxy]acetic acid?
The IUPAC name of 2-[2-(1,3-dioxo-2-azaspiro[4.6]undecan-2-yl)ethoxy]acetic acid (CID 79456834) is 2-[2-(1,3-dioxo-2-azaspiro[4.6]undecan-2-yl)ethoxy]acetic acid.
What is the SMILES notation for 2-[2-(1,3-dioxo-2-azaspiro[4.6]undecan-2-yl)ethoxy]acetic acid?
The canonical SMILES for 2-[2-(1,3-dioxo-2-azaspiro[4.6]undecan-2-yl)ethoxy]acetic acid is O=C(O)COCCN1C(=O)CC2(CCCCCC2)C1=O.
What is the InChIKey of 2-[2-(1,3-dioxo-2-azaspiro[4.6]undecan-2-yl)ethoxy]acetic acid?
The InChIKey is GQQAFQGPLBWZGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO5/c16-11-9-14(5-3-1-2-4-6-14)13(19)15(11)7-8-20-10-12(17)18/h1-10H2,(H,17,18).
What are the key properties of 2-[2-(1,3-dioxo-2-azaspiro[4.6]undecan-2-yl)ethoxy]acetic acid?
2-[2-(1,3-dioxo-2-azaspiro[4.6]undecan-2-yl)ethoxy]acetic acid has a molecular weight of 283.32 g/mol, XLogP of 1.19, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(1,3-dioxo-2-azaspiro[4.6]undecan-2-yl)ethoxy]acetic acid is sourced from PubChem (CID 79456834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).