8-(3-aminooxolane-3-carbonyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione

C12H18N4O4 — CID 64892152

IUPAC8-(3-aminooxolane-3-carbonyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione
SMILESNC1(C(=O)N2CCC3(CC2)NC(=O)NC3=O)CCOC1
InChIInChI=1S/C12H18N4O4/c13-11(3-6-20-7-11)9(18)16-4-1-12(2-5-16)8(17)14-10(19)15-12/h1-7,13H2,(H2,14,15,17,19)
InChIKeyVWACPINKUKBHLF-UHFFFAOYSA-N
MW282.30 g/mol
LogP-1.70
Rot. Bonds1

About 8-(3-aminooxolane-3-carbonyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione

8-(3-aminooxolane-3-carbonyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione (PubChem CID 64892152) has the molecular formula C12H18N4O4 and a molecular weight of 282.30 g/mol. Its IUPAC name is 8-(3-aminooxolane-3-carbonyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione.

Molecular Properties

Compound Name8-(3-aminooxolane-3-carbonyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione
PubChem CID64892152
Molecular FormulaC12H18N4O4
Molecular Weight282.30 g/mol
Exact Mass282.13
IUPAC Name8-(3-aminooxolane-3-carbonyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione
SMILESNC1(C(=O)N2CCC3(CC2)NC(=O)NC3=O)CCOC1
InChIInChI=1S/C12H18N4O4/c13-11(3-6-20-7-11)9(18)16-4-1-12(2-5-16)8(17)14-10(19)15-12/h1-7,13H2,(H2,14,15,17,19)
InChIKeyVWACPINKUKBHLF-UHFFFAOYSA-N
XLogP-1.70
TPSA113.76 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.30
LogP ≤ 5-1.70
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 8-(3-aminooxolane-3-carbonyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione?
The IUPAC name of 8-(3-aminooxolane-3-carbonyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione (CID 64892152) is 8-(3-aminooxolane-3-carbonyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione.
What is the SMILES notation for 8-(3-aminooxolane-3-carbonyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione?
The canonical SMILES for 8-(3-aminooxolane-3-carbonyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione is NC1(C(=O)N2CCC3(CC2)NC(=O)NC3=O)CCOC1.
What is the InChIKey of 8-(3-aminooxolane-3-carbonyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione?
The InChIKey is VWACPINKUKBHLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N4O4/c13-11(3-6-20-7-11)9(18)16-4-1-12(2-5-16)8(17)14-10(19)15-12/h1-7,13H2,(H2,14,15,17,19).
What are the key properties of 8-(3-aminooxolane-3-carbonyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione?
8-(3-aminooxolane-3-carbonyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione has a molecular weight of 282.30 g/mol, XLogP of -1.70, 1 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(3-aminooxolane-3-carbonyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione is sourced from PubChem (CID 64892152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).