9-hydroxy-3-[(1S)-1-phenylpropyl]-1-oxa-3-azaspiro[5.5]undecan-2-one

C18H25NO3 — CID 67996503

IUPAC9-hydroxy-3-[(1S)-1-phenylpropyl]-1-oxa-3-azaspiro[5.5]undecan-2-one
SMILESCC[C@@H](c1ccccc1)N1CCC2(CCC(O)CC2)OC1=O
InChIInChI=1S/C18H25NO3/c1-2-16(14-6-4-3-5-7-14)19-13-12-18(22-17(19)21)10-8-15(20)9-11-18/h3-7,15-16,20H,2,8-13H2,1H3/t15?,16-,18?/m0/s1
InChIKeyWREWWSPDVPIUDG-PQUAAJSLSA-N
MW303.40 g/mol
LogP3.65
Rot. Bonds3

About 9-hydroxy-3-[(1S)-1-phenylpropyl]-1-oxa-3-azaspiro[5.5]undecan-2-one

9-hydroxy-3-[(1S)-1-phenylpropyl]-1-oxa-3-azaspiro[5.5]undecan-2-one (PubChem CID 67996503) has the molecular formula C18H25NO3 and a molecular weight of 303.40 g/mol. Its IUPAC name is 9-hydroxy-3-[(1S)-1-phenylpropyl]-1-oxa-3-azaspiro[5.5]undecan-2-one.

Molecular Properties

Compound Name9-hydroxy-3-[(1S)-1-phenylpropyl]-1-oxa-3-azaspiro[5.5]undecan-2-one
PubChem CID67996503
Molecular FormulaC18H25NO3
Molecular Weight303.40 g/mol
Exact Mass303.18
IUPAC Name9-hydroxy-3-[(1S)-1-phenylpropyl]-1-oxa-3-azaspiro[5.5]undecan-2-one
SMILESCC[C@@H](c1ccccc1)N1CCC2(CCC(O)CC2)OC1=O
InChIInChI=1S/C18H25NO3/c1-2-16(14-6-4-3-5-7-14)19-13-12-18(22-17(19)21)10-8-15(20)9-11-18/h3-7,15-16,20H,2,8-13H2,1H3/t15?,16-,18?/m0/s1
InChIKeyWREWWSPDVPIUDG-PQUAAJSLSA-N
XLogP3.65
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.40
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

C18H24Fno3
CID 665079
9-hydroxy-3-[(1S)-1-naphthalen-2-ylethyl]-1-oxa-3-azaspiro[5.5]undecan-2-one
CID 56589643
3-[(S)-(4-bromophenyl)-cyclopropylmethyl]-9-hydroxy-1-oxa-3-azaspiro[5.5]undecan-2-one
CID 56595757
3-[2-(4-Bromophenyl)propan-2-yl]-9-hydroxy-1-oxa-3-azaspiro[5.5]undecan-2-one
CID 56595803
3-[(1S)-1-(4-bromophenyl)ethyl]-9-hydroxy-1-oxa-3-azaspiro[5.5]undecan-2-one
CID 56596486
3-[(1S)-2,3-dihydro-1H-inden-1-yl]-9-hydroxy-1-oxa-3-azaspiro[5.5]undecan-2-one
CID 67995755
9-hydroxy-3-[(1S)-1-(4-methylphenyl)propyl]-1-oxa-3-azaspiro[5.5]undecan-2-one
CID 67995930
3-[(1S)-1-(4-fluorophenyl)ethyl]-9-hydroxy-1-oxa-3-azaspiro[5.5]undecan-2-one
CID 67996040
3-[(S)-1-Phenyl-propyl]-1-oxa-3-aza-spiro[5.5]undecane-2,9-dione
CID 67996093
3-[(S)-1-Phenyl-ethyl]-1-oxa-3-aza-spiro[5.5]undecane-2,9-dione
CID 67996134
3-[(1S)-1-(4-chlorophenyl)propyl]-9-hydroxy-1-oxa-3-azaspiro[5.5]undecan-2-one
CID 67996230
9-hydroxy-3-[(1S)-1-(4-methylphenyl)ethyl]-1-oxa-3-azaspiro[5.5]undecan-2-one
CID 67996317

Frequently Asked Questions

What is the IUPAC name of 9-hydroxy-3-[(1S)-1-phenylpropyl]-1-oxa-3-azaspiro[5.5]undecan-2-one?
The IUPAC name of 9-hydroxy-3-[(1S)-1-phenylpropyl]-1-oxa-3-azaspiro[5.5]undecan-2-one (CID 67996503) is 9-hydroxy-3-[(1S)-1-phenylpropyl]-1-oxa-3-azaspiro[5.5]undecan-2-one.
What is the SMILES notation for 9-hydroxy-3-[(1S)-1-phenylpropyl]-1-oxa-3-azaspiro[5.5]undecan-2-one?
The canonical SMILES for 9-hydroxy-3-[(1S)-1-phenylpropyl]-1-oxa-3-azaspiro[5.5]undecan-2-one is CC[C@@H](c1ccccc1)N1CCC2(CCC(O)CC2)OC1=O.
What is the InChIKey of 9-hydroxy-3-[(1S)-1-phenylpropyl]-1-oxa-3-azaspiro[5.5]undecan-2-one?
The InChIKey is WREWWSPDVPIUDG-PQUAAJSLSA-N. The full InChI is InChI=1S/C18H25NO3/c1-2-16(14-6-4-3-5-7-14)19-13-12-18(22-17(19)21)10-8-15(20)9-11-18/h3-7,15-16,20H,2,8-13H2,1H3/t15?,16-,18?/m0/s1.
What are the key properties of 9-hydroxy-3-[(1S)-1-phenylpropyl]-1-oxa-3-azaspiro[5.5]undecan-2-one?
9-hydroxy-3-[(1S)-1-phenylpropyl]-1-oxa-3-azaspiro[5.5]undecan-2-one has a molecular weight of 303.40 g/mol, XLogP of 3.65, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 9-hydroxy-3-[(1S)-1-phenylpropyl]-1-oxa-3-azaspiro[5.5]undecan-2-one is sourced from PubChem (CID 67996503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).