3-[[(2S)-oxan-2-yl]methyl]-1,3-diazaspiro[4.4]nonane-2,4-dione

C13H20N2O3 — CID 41176811

IUPAC3-[[(2S)-oxan-2-yl]methyl]-1,3-diazaspiro[4.4]nonane-2,4-dione
SMILESO=C1NC2(CCCC2)C(=O)N1C[C@@H]1CCCCO1
InChIInChI=1S/C13H20N2O3/c16-11-13(6-2-3-7-13)14-12(17)15(11)9-10-5-1-4-8-18-10/h10H,1-9H2,(H,14,17)/t10-/m0/s1
InChIKeyKVHZKLLJMMYDRT-JTQLQIEISA-N
MW252.31 g/mol
LogP1.42
Rot. Bonds2

About 3-[[(2S)-oxan-2-yl]methyl]-1,3-diazaspiro[4.4]nonane-2,4-dione

3-[[(2S)-oxan-2-yl]methyl]-1,3-diazaspiro[4.4]nonane-2,4-dione (PubChem CID 41176811) has the molecular formula C13H20N2O3 and a molecular weight of 252.31 g/mol. Its IUPAC name is 3-[[(2S)-oxan-2-yl]methyl]-1,3-diazaspiro[4.4]nonane-2,4-dione.

Molecular Properties

Compound Name3-[[(2S)-oxan-2-yl]methyl]-1,3-diazaspiro[4.4]nonane-2,4-dione
PubChem CID41176811
Molecular FormulaC13H20N2O3
Molecular Weight252.31 g/mol
Exact Mass252.15
IUPAC Name3-[[(2S)-oxan-2-yl]methyl]-1,3-diazaspiro[4.4]nonane-2,4-dione
SMILESO=C1NC2(CCCC2)C(=O)N1C[C@@H]1CCCCO1
InChIInChI=1S/C13H20N2O3/c16-11-13(6-2-3-7-13)14-12(17)15(11)9-10-5-1-4-8-18-10/h10H,1-9H2,(H,14,17)/t10-/m0/s1
InChIKeyKVHZKLLJMMYDRT-JTQLQIEISA-N
XLogP1.42
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.31
LogP ≤ 51.42
H-Bond Donors ≤ 51
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-[[(2S)-oxan-2-yl]methyl]-1,3-diazaspiro[4.4]nonane-2,4-dione?
The IUPAC name of 3-[[(2S)-oxan-2-yl]methyl]-1,3-diazaspiro[4.4]nonane-2,4-dione (CID 41176811) is 3-[[(2S)-oxan-2-yl]methyl]-1,3-diazaspiro[4.4]nonane-2,4-dione.
What is the SMILES notation for 3-[[(2S)-oxan-2-yl]methyl]-1,3-diazaspiro[4.4]nonane-2,4-dione?
The canonical SMILES for 3-[[(2S)-oxan-2-yl]methyl]-1,3-diazaspiro[4.4]nonane-2,4-dione is O=C1NC2(CCCC2)C(=O)N1C[C@@H]1CCCCO1.
What is the InChIKey of 3-[[(2S)-oxan-2-yl]methyl]-1,3-diazaspiro[4.4]nonane-2,4-dione?
The InChIKey is KVHZKLLJMMYDRT-JTQLQIEISA-N. The full InChI is InChI=1S/C13H20N2O3/c16-11-13(6-2-3-7-13)14-12(17)15(11)9-10-5-1-4-8-18-10/h10H,1-9H2,(H,14,17)/t10-/m0/s1.
What are the key properties of 3-[[(2S)-oxan-2-yl]methyl]-1,3-diazaspiro[4.4]nonane-2,4-dione?
3-[[(2S)-oxan-2-yl]methyl]-1,3-diazaspiro[4.4]nonane-2,4-dione has a molecular weight of 252.31 g/mol, XLogP of 1.42, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[(2S)-oxan-2-yl]methyl]-1,3-diazaspiro[4.4]nonane-2,4-dione is sourced from PubChem (CID 41176811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).