8-[(2S)-1-hydroxybutan-2-yl]-8-azaspiro[4.5]decane-7,9-dione

C13H21NO3 — CID 114010142

IUPAC8-[(2S)-1-hydroxybutan-2-yl]-8-azaspiro[4.5]decane-7,9-dione
SMILESCC[C@@H](CO)N1C(=O)CC2(CCCC2)CC1=O
InChIInChI=1S/C13H21NO3/c1-2-10(9-15)14-11(16)7-13(8-12(14)17)5-3-4-6-13/h10,15H,2-9H2,1H3/t10-/m0/s1
InChIKeyXZUBMXLZGGZQTI-JTQLQIEISA-N
MW239.31 g/mol
LogP1.47
Rot. Bonds3

About 8-[(2S)-1-hydroxybutan-2-yl]-8-azaspiro[4.5]decane-7,9-dione

8-[(2S)-1-hydroxybutan-2-yl]-8-azaspiro[4.5]decane-7,9-dione (PubChem CID 114010142) has the molecular formula C13H21NO3 and a molecular weight of 239.31 g/mol. Its IUPAC name is 8-[(2S)-1-hydroxybutan-2-yl]-8-azaspiro[4.5]decane-7,9-dione.

Molecular Properties

Compound Name8-[(2S)-1-hydroxybutan-2-yl]-8-azaspiro[4.5]decane-7,9-dione
PubChem CID114010142
Molecular FormulaC13H21NO3
Molecular Weight239.31 g/mol
Exact Mass239.15
IUPAC Name8-[(2S)-1-hydroxybutan-2-yl]-8-azaspiro[4.5]decane-7,9-dione
SMILESCC[C@@H](CO)N1C(=O)CC2(CCCC2)CC1=O
InChIInChI=1S/C13H21NO3/c1-2-10(9-15)14-11(16)7-13(8-12(14)17)5-3-4-6-13/h10,15H,2-9H2,1H3/t10-/m0/s1
InChIKeyXZUBMXLZGGZQTI-JTQLQIEISA-N
XLogP1.47
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.31
LogP ≤ 51.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 8-[(2S)-1-hydroxybutan-2-yl]-8-azaspiro[4.5]decane-7,9-dione?
The IUPAC name of 8-[(2S)-1-hydroxybutan-2-yl]-8-azaspiro[4.5]decane-7,9-dione (CID 114010142) is 8-[(2S)-1-hydroxybutan-2-yl]-8-azaspiro[4.5]decane-7,9-dione.
What is the SMILES notation for 8-[(2S)-1-hydroxybutan-2-yl]-8-azaspiro[4.5]decane-7,9-dione?
The canonical SMILES for 8-[(2S)-1-hydroxybutan-2-yl]-8-azaspiro[4.5]decane-7,9-dione is CC[C@@H](CO)N1C(=O)CC2(CCCC2)CC1=O.
What is the InChIKey of 8-[(2S)-1-hydroxybutan-2-yl]-8-azaspiro[4.5]decane-7,9-dione?
The InChIKey is XZUBMXLZGGZQTI-JTQLQIEISA-N. The full InChI is InChI=1S/C13H21NO3/c1-2-10(9-15)14-11(16)7-13(8-12(14)17)5-3-4-6-13/h10,15H,2-9H2,1H3/t10-/m0/s1.
What are the key properties of 8-[(2S)-1-hydroxybutan-2-yl]-8-azaspiro[4.5]decane-7,9-dione?
8-[(2S)-1-hydroxybutan-2-yl]-8-azaspiro[4.5]decane-7,9-dione has a molecular weight of 239.31 g/mol, XLogP of 1.47, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[(2S)-1-hydroxybutan-2-yl]-8-azaspiro[4.5]decane-7,9-dione is sourced from PubChem (CID 114010142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).