3-(2,3-dihydroxypropyl)-8-oxa-1,3-diazaspiro[4.5]decane-2,4-dione

C10H16N2O5 — CID 103736328

IUPAC3-(2,3-dihydroxypropyl)-8-oxa-1,3-diazaspiro[4.5]decane-2,4-dione
SMILESO=C1NC2(CCOCC2)C(=O)N1CC(O)CO
InChIInChI=1S/C10H16N2O5/c13-6-7(14)5-12-8(15)10(11-9(12)16)1-3-17-4-2-10/h7,13-14H,1-6H2,(H,11,16)
InChIKeyWBFSZNQKHANOCJ-UHFFFAOYSA-N
MW244.25 g/mol
LogP-1.56
Rot. Bonds3

About 3-(2,3-dihydroxypropyl)-8-oxa-1,3-diazaspiro[4.5]decane-2,4-dione

3-(2,3-dihydroxypropyl)-8-oxa-1,3-diazaspiro[4.5]decane-2,4-dione (PubChem CID 103736328) has the molecular formula C10H16N2O5 and a molecular weight of 244.25 g/mol. Its IUPAC name is 3-(2,3-dihydroxypropyl)-8-oxa-1,3-diazaspiro[4.5]decane-2,4-dione.

Molecular Properties

Compound Name3-(2,3-dihydroxypropyl)-8-oxa-1,3-diazaspiro[4.5]decane-2,4-dione
PubChem CID103736328
Molecular FormulaC10H16N2O5
Molecular Weight244.25 g/mol
Exact Mass244.11
IUPAC Name3-(2,3-dihydroxypropyl)-8-oxa-1,3-diazaspiro[4.5]decane-2,4-dione
SMILESO=C1NC2(CCOCC2)C(=O)N1CC(O)CO
InChIInChI=1S/C10H16N2O5/c13-6-7(14)5-12-8(15)10(11-9(12)16)1-3-17-4-2-10/h7,13-14H,1-6H2,(H,11,16)
InChIKeyWBFSZNQKHANOCJ-UHFFFAOYSA-N
XLogP-1.56
TPSA99.10 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.25
LogP ≤ 5-1.56
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 3-(2,3-dihydroxypropyl)-8-oxa-1,3-diazaspiro[4.5]decane-2,4-dione?
The IUPAC name of 3-(2,3-dihydroxypropyl)-8-oxa-1,3-diazaspiro[4.5]decane-2,4-dione (CID 103736328) is 3-(2,3-dihydroxypropyl)-8-oxa-1,3-diazaspiro[4.5]decane-2,4-dione.
What is the SMILES notation for 3-(2,3-dihydroxypropyl)-8-oxa-1,3-diazaspiro[4.5]decane-2,4-dione?
The canonical SMILES for 3-(2,3-dihydroxypropyl)-8-oxa-1,3-diazaspiro[4.5]decane-2,4-dione is O=C1NC2(CCOCC2)C(=O)N1CC(O)CO.
What is the InChIKey of 3-(2,3-dihydroxypropyl)-8-oxa-1,3-diazaspiro[4.5]decane-2,4-dione?
The InChIKey is WBFSZNQKHANOCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O5/c13-6-7(14)5-12-8(15)10(11-9(12)16)1-3-17-4-2-10/h7,13-14H,1-6H2,(H,11,16).
What are the key properties of 3-(2,3-dihydroxypropyl)-8-oxa-1,3-diazaspiro[4.5]decane-2,4-dione?
3-(2,3-dihydroxypropyl)-8-oxa-1,3-diazaspiro[4.5]decane-2,4-dione has a molecular weight of 244.25 g/mol, XLogP of -1.56, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,3-dihydroxypropyl)-8-oxa-1,3-diazaspiro[4.5]decane-2,4-dione is sourced from PubChem (CID 103736328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).