2-[(2R)-3-(furan-2-ylmethoxy)-2-hydroxypropyl]-2-azaspiro[4.5]decane-1,3-dione

C17H23NO5 — CID 31580066

IUPAC2-[(2R)-3-(furan-2-ylmethoxy)-2-hydroxypropyl]-2-azaspiro[4.5]decane-1,3-dione
SMILESO=C1CC2(CCCCC2)C(=O)N1C[C@@H](O)COCc1ccco1
InChIInChI=1S/C17H23NO5/c19-13(11-22-12-14-5-4-8-23-14)10-18-15(20)9-17(16(18)21)6-2-1-3-7-17/h4-5,8,13,19H,1-3,6-7,9-12H2/t13-/m1/s1
InChIKeyBREUVYDTKPBLAS-CYBMUJFWSA-N
MW321.37 g/mol
LogP1.87
Rot. Bonds6

About 2-[(2R)-3-(furan-2-ylmethoxy)-2-hydroxypropyl]-2-azaspiro[4.5]decane-1,3-dione

2-[(2R)-3-(furan-2-ylmethoxy)-2-hydroxypropyl]-2-azaspiro[4.5]decane-1,3-dione (PubChem CID 31580066) has the molecular formula C17H23NO5 and a molecular weight of 321.37 g/mol. Its IUPAC name is 2-[(2R)-3-(furan-2-ylmethoxy)-2-hydroxypropyl]-2-azaspiro[4.5]decane-1,3-dione.

Molecular Properties

Compound Name2-[(2R)-3-(furan-2-ylmethoxy)-2-hydroxypropyl]-2-azaspiro[4.5]decane-1,3-dione
PubChem CID31580066
Molecular FormulaC17H23NO5
Molecular Weight321.37 g/mol
Exact Mass321.16
IUPAC Name2-[(2R)-3-(furan-2-ylmethoxy)-2-hydroxypropyl]-2-azaspiro[4.5]decane-1,3-dione
SMILESO=C1CC2(CCCCC2)C(=O)N1C[C@@H](O)COCc1ccco1
InChIInChI=1S/C17H23NO5/c19-13(11-22-12-14-5-4-8-23-14)10-18-15(20)9-17(16(18)21)6-2-1-3-7-17/h4-5,8,13,19H,1-3,6-7,9-12H2/t13-/m1/s1
InChIKeyBREUVYDTKPBLAS-CYBMUJFWSA-N
XLogP1.87
TPSA79.98 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.37
LogP ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[(2R)-3-(furan-2-ylmethoxy)-2-hydroxypropyl]-2-azaspiro[4.5]decane-1,3-dione?
The IUPAC name of 2-[(2R)-3-(furan-2-ylmethoxy)-2-hydroxypropyl]-2-azaspiro[4.5]decane-1,3-dione (CID 31580066) is 2-[(2R)-3-(furan-2-ylmethoxy)-2-hydroxypropyl]-2-azaspiro[4.5]decane-1,3-dione.
What is the SMILES notation for 2-[(2R)-3-(furan-2-ylmethoxy)-2-hydroxypropyl]-2-azaspiro[4.5]decane-1,3-dione?
The canonical SMILES for 2-[(2R)-3-(furan-2-ylmethoxy)-2-hydroxypropyl]-2-azaspiro[4.5]decane-1,3-dione is O=C1CC2(CCCCC2)C(=O)N1C[C@@H](O)COCc1ccco1.
What is the InChIKey of 2-[(2R)-3-(furan-2-ylmethoxy)-2-hydroxypropyl]-2-azaspiro[4.5]decane-1,3-dione?
The InChIKey is BREUVYDTKPBLAS-CYBMUJFWSA-N. The full InChI is InChI=1S/C17H23NO5/c19-13(11-22-12-14-5-4-8-23-14)10-18-15(20)9-17(16(18)21)6-2-1-3-7-17/h4-5,8,13,19H,1-3,6-7,9-12H2/t13-/m1/s1.
What are the key properties of 2-[(2R)-3-(furan-2-ylmethoxy)-2-hydroxypropyl]-2-azaspiro[4.5]decane-1,3-dione?
2-[(2R)-3-(furan-2-ylmethoxy)-2-hydroxypropyl]-2-azaspiro[4.5]decane-1,3-dione has a molecular weight of 321.37 g/mol, XLogP of 1.87, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2R)-3-(furan-2-ylmethoxy)-2-hydroxypropyl]-2-azaspiro[4.5]decane-1,3-dione is sourced from PubChem (CID 31580066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).