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

C10H14N2O4 — CID 3162834

IUPAC2-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetic acid
SMILESO=C(O)CN1C(=O)NC2(CCCCC2)C1=O
InChIInChI=1S/C10H14N2O4/c13-7(14)6-12-8(15)10(11-9(12)16)4-2-1-3-5-10/h1-6H2,(H,11,16)(H,13,14)
InChIKeyCGXTWPOZGXKGOX-UHFFFAOYSA-N
MW226.23 g/mol
LogP0.33
Rot. Bonds2

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

2-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetic acid (PubChem CID 3162834) has the molecular formula C10H14N2O4 and a molecular weight of 226.23 g/mol. Its IUPAC name is 2-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetic acid.

Molecular Properties

Compound Name2-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetic acid
PubChem CID3162834
Molecular FormulaC10H14N2O4
Molecular Weight226.23 g/mol
Exact Mass226.10
IUPAC Name2-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetic acid
SMILESO=C(O)CN1C(=O)NC2(CCCCC2)C1=O
InChIInChI=1S/C10H14N2O4/c13-7(14)6-12-8(15)10(11-9(12)16)4-2-1-3-5-10/h1-6H2,(H,11,16)(H,13,14)
InChIKeyCGXTWPOZGXKGOX-UHFFFAOYSA-N
XLogP0.33
TPSA86.71 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.23
LogP ≤ 50.33
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-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetic acid?
The IUPAC name of 2-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetic acid (CID 3162834) is 2-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetic acid.
What is the SMILES notation for 2-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetic acid?
The canonical SMILES for 2-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetic acid is O=C(O)CN1C(=O)NC2(CCCCC2)C1=O.
What is the InChIKey of 2-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetic acid?
The InChIKey is CGXTWPOZGXKGOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O4/c13-7(14)6-12-8(15)10(11-9(12)16)4-2-1-3-5-10/h1-6H2,(H,11,16)(H,13,14).
What are the key properties of 2-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetic acid?
2-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetic acid has a molecular weight of 226.23 g/mol, XLogP of 0.33, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetic acid is sourced from PubChem (CID 3162834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).