3-[(1S)-1-phenylethyl]-1-oxa-3-azaspiro[5.5]undecane-2,9-dione

C17H21NO3 — CID 67996134

IUPAC3-[(1S)-1-phenylethyl]-1-oxa-3-azaspiro[5.5]undecane-2,9-dione
SMILESC[C@@H](c1ccccc1)N1CCC2(CCC(=O)CC2)OC1=O
InChIInChI=1S/C17H21NO3/c1-13(14-5-3-2-4-6-14)18-12-11-17(21-16(18)20)9-7-15(19)8-10-17/h2-6,13H,7-12H2,1H3/t13-/m0/s1
InChIKeyPCQDJWBIQSHTOO-ZDUSSCGKSA-N
MW287.36 g/mol
LogP3.47
Rot. Bonds2

About 3-[(1S)-1-phenylethyl]-1-oxa-3-azaspiro[5.5]undecane-2,9-dione

3-[(1S)-1-phenylethyl]-1-oxa-3-azaspiro[5.5]undecane-2,9-dione (PubChem CID 67996134) has the molecular formula C17H21NO3 and a molecular weight of 287.36 g/mol. Its IUPAC name is 3-[(1S)-1-phenylethyl]-1-oxa-3-azaspiro[5.5]undecane-2,9-dione.

Molecular Properties

Compound Name3-[(1S)-1-phenylethyl]-1-oxa-3-azaspiro[5.5]undecane-2,9-dione
PubChem CID67996134
Molecular FormulaC17H21NO3
Molecular Weight287.36 g/mol
Exact Mass287.15
IUPAC Name3-[(1S)-1-phenylethyl]-1-oxa-3-azaspiro[5.5]undecane-2,9-dione
SMILESC[C@@H](c1ccccc1)N1CCC2(CCC(=O)CC2)OC1=O
InChIInChI=1S/C17H21NO3/c1-13(14-5-3-2-4-6-14)18-12-11-17(21-16(18)20)9-7-15(19)8-10-17/h2-6,13H,7-12H2,1H3/t13-/m0/s1
InChIKeyPCQDJWBIQSHTOO-ZDUSSCGKSA-N
XLogP3.47
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.36
LogP ≤ 53.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[(1S)-1-phenylethyl]-1-oxa-3-azaspiro[5.5]undecane-2,9-dione?
The IUPAC name of 3-[(1S)-1-phenylethyl]-1-oxa-3-azaspiro[5.5]undecane-2,9-dione (CID 67996134) is 3-[(1S)-1-phenylethyl]-1-oxa-3-azaspiro[5.5]undecane-2,9-dione.
What is the SMILES notation for 3-[(1S)-1-phenylethyl]-1-oxa-3-azaspiro[5.5]undecane-2,9-dione?
The canonical SMILES for 3-[(1S)-1-phenylethyl]-1-oxa-3-azaspiro[5.5]undecane-2,9-dione is C[C@@H](c1ccccc1)N1CCC2(CCC(=O)CC2)OC1=O.
What is the InChIKey of 3-[(1S)-1-phenylethyl]-1-oxa-3-azaspiro[5.5]undecane-2,9-dione?
The InChIKey is PCQDJWBIQSHTOO-ZDUSSCGKSA-N. The full InChI is InChI=1S/C17H21NO3/c1-13(14-5-3-2-4-6-14)18-12-11-17(21-16(18)20)9-7-15(19)8-10-17/h2-6,13H,7-12H2,1H3/t13-/m0/s1.
What are the key properties of 3-[(1S)-1-phenylethyl]-1-oxa-3-azaspiro[5.5]undecane-2,9-dione?
3-[(1S)-1-phenylethyl]-1-oxa-3-azaspiro[5.5]undecane-2,9-dione has a molecular weight of 287.36 g/mol, XLogP of 3.47, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(1S)-1-phenylethyl]-1-oxa-3-azaspiro[5.5]undecane-2,9-dione is sourced from PubChem (CID 67996134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).