2-[(2S)-3-(diethylamino)-2-hydroxypropyl]-2-azaspiro[4.4]nonane-1,3-dione

C15H26N2O3 — CID 125485585

IUPAC2-[(2S)-3-(diethylamino)-2-hydroxypropyl]-2-azaspiro[4.4]nonane-1,3-dione
SMILESCCN(CC)C[C@H](O)CN1C(=O)CC2(CCCC2)C1=O
InChIInChI=1S/C15H26N2O3/c1-3-16(4-2)10-12(18)11-17-13(19)9-15(14(17)20)7-5-6-8-15/h12,18H,3-11H2,1-2H3/t12-/m0/s1
InChIKeyLZKZHXKFJTYDCW-LBPRGKRZSA-N
MW282.38 g/mol
LogP1.01
Rot. Bonds6

About 2-[(2S)-3-(diethylamino)-2-hydroxypropyl]-2-azaspiro[4.4]nonane-1,3-dione

2-[(2S)-3-(diethylamino)-2-hydroxypropyl]-2-azaspiro[4.4]nonane-1,3-dione (PubChem CID 125485585) has the molecular formula C15H26N2O3 and a molecular weight of 282.38 g/mol. Its IUPAC name is 2-[(2S)-3-(diethylamino)-2-hydroxypropyl]-2-azaspiro[4.4]nonane-1,3-dione.

Molecular Properties

Compound Name2-[(2S)-3-(diethylamino)-2-hydroxypropyl]-2-azaspiro[4.4]nonane-1,3-dione
PubChem CID125485585
Molecular FormulaC15H26N2O3
Molecular Weight282.38 g/mol
Exact Mass282.19
IUPAC Name2-[(2S)-3-(diethylamino)-2-hydroxypropyl]-2-azaspiro[4.4]nonane-1,3-dione
SMILESCCN(CC)C[C@H](O)CN1C(=O)CC2(CCCC2)C1=O
InChIInChI=1S/C15H26N2O3/c1-3-16(4-2)10-12(18)11-17-13(19)9-15(14(17)20)7-5-6-8-15/h12,18H,3-11H2,1-2H3/t12-/m0/s1
InChIKeyLZKZHXKFJTYDCW-LBPRGKRZSA-N
XLogP1.01
TPSA60.85 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.38
LogP ≤ 51.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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-[(2S)-3-(diethylamino)-2-hydroxypropyl]-2-azaspiro[4.4]nonane-1,3-dione?
The IUPAC name of 2-[(2S)-3-(diethylamino)-2-hydroxypropyl]-2-azaspiro[4.4]nonane-1,3-dione (CID 125485585) is 2-[(2S)-3-(diethylamino)-2-hydroxypropyl]-2-azaspiro[4.4]nonane-1,3-dione.
What is the SMILES notation for 2-[(2S)-3-(diethylamino)-2-hydroxypropyl]-2-azaspiro[4.4]nonane-1,3-dione?
The canonical SMILES for 2-[(2S)-3-(diethylamino)-2-hydroxypropyl]-2-azaspiro[4.4]nonane-1,3-dione is CCN(CC)C[C@H](O)CN1C(=O)CC2(CCCC2)C1=O.
What is the InChIKey of 2-[(2S)-3-(diethylamino)-2-hydroxypropyl]-2-azaspiro[4.4]nonane-1,3-dione?
The InChIKey is LZKZHXKFJTYDCW-LBPRGKRZSA-N. The full InChI is InChI=1S/C15H26N2O3/c1-3-16(4-2)10-12(18)11-17-13(19)9-15(14(17)20)7-5-6-8-15/h12,18H,3-11H2,1-2H3/t12-/m0/s1.
What are the key properties of 2-[(2S)-3-(diethylamino)-2-hydroxypropyl]-2-azaspiro[4.4]nonane-1,3-dione?
2-[(2S)-3-(diethylamino)-2-hydroxypropyl]-2-azaspiro[4.4]nonane-1,3-dione has a molecular weight of 282.38 g/mol, XLogP of 1.01, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2S)-3-(diethylamino)-2-hydroxypropyl]-2-azaspiro[4.4]nonane-1,3-dione is sourced from PubChem (CID 125485585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).