3-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)propanoic acid

C11H16N2O4 — CID 7131517

IUPAC3-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)propanoic acid
SMILESO=C(O)CCN1C(=O)NC2(CCCCC2)C1=O
InChIInChI=1S/C11H16N2O4/c14-8(15)4-7-13-9(16)11(12-10(13)17)5-2-1-3-6-11/h1-7H2,(H,12,17)(H,14,15)
InChIKeyHPZBMCUGRSSCDC-UHFFFAOYSA-N
MW240.26 g/mol
LogP0.72
Rot. Bonds3

About 3-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)propanoic acid

3-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)propanoic acid (PubChem CID 7131517) has the molecular formula C11H16N2O4 and a molecular weight of 240.26 g/mol. Its IUPAC name is 3-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)propanoic acid.

Molecular Properties

Compound Name3-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)propanoic acid
PubChem CID7131517
Molecular FormulaC11H16N2O4
Molecular Weight240.26 g/mol
Exact Mass240.11
IUPAC Name3-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)propanoic acid
SMILESO=C(O)CCN1C(=O)NC2(CCCCC2)C1=O
InChIInChI=1S/C11H16N2O4/c14-8(15)4-7-13-9(16)11(12-10(13)17)5-2-1-3-6-11/h1-7H2,(H,12,17)(H,14,15)
InChIKeyHPZBMCUGRSSCDC-UHFFFAOYSA-N
XLogP0.72
TPSA86.71 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.26
LogP ≤ 50.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)propanoic acid?
The IUPAC name of 3-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)propanoic acid (CID 7131517) is 3-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)propanoic acid.
What is the SMILES notation for 3-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)propanoic acid?
The canonical SMILES for 3-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)propanoic acid is O=C(O)CCN1C(=O)NC2(CCCCC2)C1=O.
What is the InChIKey of 3-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)propanoic acid?
The InChIKey is HPZBMCUGRSSCDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O4/c14-8(15)4-7-13-9(16)11(12-10(13)17)5-2-1-3-6-11/h1-7H2,(H,12,17)(H,14,15).
What are the key properties of 3-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)propanoic acid?
3-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)propanoic acid has a molecular weight of 240.26 g/mol, XLogP of 0.72, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)propanoic acid is sourced from PubChem (CID 7131517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).