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

C12H18N2O4 — CID 4868349

IUPAC2-(8-ethyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetic acid
SMILESCCC1CCC2(CC1)NC(=O)N(CC(=O)O)C2=O
InChIInChI=1S/C12H18N2O4/c1-2-8-3-5-12(6-4-8)10(17)14(7-9(15)16)11(18)13-12/h8H,2-7H2,1H3,(H,13,18)(H,15,16)
InChIKeyHIGUZLALYBCEKD-UHFFFAOYSA-N
MW254.29 g/mol
LogP0.96
Rot. Bonds3

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

2-(8-ethyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetic acid (PubChem CID 4868349) has the molecular formula C12H18N2O4 and a molecular weight of 254.29 g/mol. Its IUPAC name is 2-(8-ethyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetic acid.

Molecular Properties

Compound Name2-(8-ethyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetic acid
PubChem CID4868349
Molecular FormulaC12H18N2O4
Molecular Weight254.29 g/mol
Exact Mass254.13
IUPAC Name2-(8-ethyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetic acid
SMILESCCC1CCC2(CC1)NC(=O)N(CC(=O)O)C2=O
InChIInChI=1S/C12H18N2O4/c1-2-8-3-5-12(6-4-8)10(17)14(7-9(15)16)11(18)13-12/h8H,2-7H2,1H3,(H,13,18)(H,15,16)
InChIKeyHIGUZLALYBCEKD-UHFFFAOYSA-N
XLogP0.96
TPSA86.71 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.29
LogP ≤ 50.96
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-ethyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetic acid?
The IUPAC name of 2-(8-ethyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetic acid (CID 4868349) is 2-(8-ethyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetic acid.
What is the SMILES notation for 2-(8-ethyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetic acid?
The canonical SMILES for 2-(8-ethyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetic acid is CCC1CCC2(CC1)NC(=O)N(CC(=O)O)C2=O.
What is the InChIKey of 2-(8-ethyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetic acid?
The InChIKey is HIGUZLALYBCEKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O4/c1-2-8-3-5-12(6-4-8)10(17)14(7-9(15)16)11(18)13-12/h8H,2-7H2,1H3,(H,13,18)(H,15,16).
What are the key properties of 2-(8-ethyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetic acid?
2-(8-ethyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetic acid has a molecular weight of 254.29 g/mol, XLogP of 0.96, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(8-ethyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetic acid is sourced from PubChem (CID 4868349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).