2-[1-(7,9-dioxo-8-azaspiro[4.5]decan-8-yl)cyclopentyl]acetic acid

C16H23NO4 — CID 64699591

IUPAC2-[1-(7,9-dioxo-8-azaspiro[4.5]decan-8-yl)cyclopentyl]acetic acid
SMILESO=C(O)CC1(N2C(=O)CC3(CCCC3)CC2=O)CCCC1
InChIInChI=1S/C16H23NO4/c18-12-9-15(5-1-2-6-15)10-13(19)17(12)16(11-14(20)21)7-3-4-8-16/h1-11H2,(H,20,21)
InChIKeyQUGNIISWUSAULH-UHFFFAOYSA-N
MW293.36 g/mol
LogP2.48
Rot. Bonds3

About 2-[1-(7,9-dioxo-8-azaspiro[4.5]decan-8-yl)cyclopentyl]acetic acid

2-[1-(7,9-dioxo-8-azaspiro[4.5]decan-8-yl)cyclopentyl]acetic acid (PubChem CID 64699591) has the molecular formula C16H23NO4 and a molecular weight of 293.36 g/mol. Its IUPAC name is 2-[1-(7,9-dioxo-8-azaspiro[4.5]decan-8-yl)cyclopentyl]acetic acid.

Molecular Properties

Compound Name2-[1-(7,9-dioxo-8-azaspiro[4.5]decan-8-yl)cyclopentyl]acetic acid
PubChem CID64699591
Molecular FormulaC16H23NO4
Molecular Weight293.36 g/mol
Exact Mass293.16
IUPAC Name2-[1-(7,9-dioxo-8-azaspiro[4.5]decan-8-yl)cyclopentyl]acetic acid
SMILESO=C(O)CC1(N2C(=O)CC3(CCCC3)CC2=O)CCCC1
InChIInChI=1S/C16H23NO4/c18-12-9-15(5-1-2-6-15)10-13(19)17(12)16(11-14(20)21)7-3-4-8-16/h1-11H2,(H,20,21)
InChIKeyQUGNIISWUSAULH-UHFFFAOYSA-N
XLogP2.48
TPSA74.68 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.36
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-[1-(7,9-dioxo-8-azaspiro[4.5]decan-8-yl)cyclopentyl]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-[1-(7,9-dioxo-8-azaspiro[4.5]decan-8-yl)cyclopentyl]acetic acid?
The IUPAC name of 2-[1-(7,9-dioxo-8-azaspiro[4.5]decan-8-yl)cyclopentyl]acetic acid (CID 64699591) is 2-[1-(7,9-dioxo-8-azaspiro[4.5]decan-8-yl)cyclopentyl]acetic acid.
What is the SMILES notation for 2-[1-(7,9-dioxo-8-azaspiro[4.5]decan-8-yl)cyclopentyl]acetic acid?
The canonical SMILES for 2-[1-(7,9-dioxo-8-azaspiro[4.5]decan-8-yl)cyclopentyl]acetic acid is O=C(O)CC1(N2C(=O)CC3(CCCC3)CC2=O)CCCC1.
What is the InChIKey of 2-[1-(7,9-dioxo-8-azaspiro[4.5]decan-8-yl)cyclopentyl]acetic acid?
The InChIKey is QUGNIISWUSAULH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO4/c18-12-9-15(5-1-2-6-15)10-13(19)17(12)16(11-14(20)21)7-3-4-8-16/h1-11H2,(H,20,21).
What are the key properties of 2-[1-(7,9-dioxo-8-azaspiro[4.5]decan-8-yl)cyclopentyl]acetic acid?
2-[1-(7,9-dioxo-8-azaspiro[4.5]decan-8-yl)cyclopentyl]acetic acid has a molecular weight of 293.36 g/mol, XLogP of 2.48, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(7,9-dioxo-8-azaspiro[4.5]decan-8-yl)cyclopentyl]acetic acid is sourced from PubChem (CID 64699591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).