2-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetic acid

C11H16N2O4 — CID 4868347

IUPAC2-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetic acid
SMILESCC1CCC2(CC1)NC(=O)N(CC(=O)O)C2=O
InChIInChI=1S/C11H16N2O4/c1-7-2-4-11(5-3-7)9(16)13(6-8(14)15)10(17)12-11/h7H,2-6H2,1H3,(H,12,17)(H,14,15)
InChIKeyJDHLGQPYECBZSL-UHFFFAOYSA-N
MW240.26 g/mol
LogP0.57
Rot. Bonds2

About 2-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetic acid

2-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetic acid (PubChem CID 4868347) has the molecular formula C11H16N2O4 and a molecular weight of 240.26 g/mol. Its IUPAC name is 2-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetic acid.

Molecular Properties

Compound Name2-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetic acid
PubChem CID4868347
Molecular FormulaC11H16N2O4
Molecular Weight240.26 g/mol
Exact Mass240.11
IUPAC Name2-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetic acid
SMILESCC1CCC2(CC1)NC(=O)N(CC(=O)O)C2=O
InChIInChI=1S/C11H16N2O4/c1-7-2-4-11(5-3-7)9(16)13(6-8(14)15)10(17)12-11/h7H,2-6H2,1H3,(H,12,17)(H,14,15)
InChIKeyJDHLGQPYECBZSL-UHFFFAOYSA-N
XLogP0.57
TPSA86.71 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.26
LogP ≤ 50.57
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 2-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetic acid?
The IUPAC name of 2-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetic acid (CID 4868347) is 2-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetic acid.
What is the SMILES notation for 2-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetic acid?
The canonical SMILES for 2-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetic acid is CC1CCC2(CC1)NC(=O)N(CC(=O)O)C2=O.
What is the InChIKey of 2-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetic acid?
The InChIKey is JDHLGQPYECBZSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O4/c1-7-2-4-11(5-3-7)9(16)13(6-8(14)15)10(17)12-11/h7H,2-6H2,1H3,(H,12,17)(H,14,15).
What are the key properties of 2-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetic acid?
2-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetic acid has a molecular weight of 240.26 g/mol, XLogP of 0.57, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetic acid is sourced from PubChem (CID 4868347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).