(5S,7S)-3-(2,2-dimethylpropyl)-7-(hydroxymethyl)-7-methyl-1-oxa-3-azaspiro[4.5]decan-2-one

C15H27NO3 — CID 71136608

IUPAC(5S,7S)-3-(2,2-dimethylpropyl)-7-(hydroxymethyl)-7-methyl-1-oxa-3-azaspiro[4.5]decan-2-one
SMILESCC(C)(C)CN1C[C@@]2(CCC[C@](C)(CO)C2)OC1=O
InChIInChI=1S/C15H27NO3/c1-13(2,3)9-16-10-15(19-12(16)18)7-5-6-14(4,8-15)11-17/h17H,5-11H2,1-4H3/t14-,15-/m0/s1
InChIKeyCTFKAWSIVBLMMT-GJZGRUSLSA-N
MW269.38 g/mol
LogP2.80
Rot. Bonds2

About (5S,7S)-3-(2,2-dimethylpropyl)-7-(hydroxymethyl)-7-methyl-1-oxa-3-azaspiro[4.5]decan-2-one

(5S,7S)-3-(2,2-dimethylpropyl)-7-(hydroxymethyl)-7-methyl-1-oxa-3-azaspiro[4.5]decan-2-one (PubChem CID 71136608) has the molecular formula C15H27NO3 and a molecular weight of 269.38 g/mol. Its IUPAC name is (5S,7S)-3-(2,2-dimethylpropyl)-7-(hydroxymethyl)-7-methyl-1-oxa-3-azaspiro[4.5]decan-2-one.

Molecular Properties

Compound Name(5S,7S)-3-(2,2-dimethylpropyl)-7-(hydroxymethyl)-7-methyl-1-oxa-3-azaspiro[4.5]decan-2-one
PubChem CID71136608
Molecular FormulaC15H27NO3
Molecular Weight269.38 g/mol
Exact Mass269.20
IUPAC Name(5S,7S)-3-(2,2-dimethylpropyl)-7-(hydroxymethyl)-7-methyl-1-oxa-3-azaspiro[4.5]decan-2-one
SMILESCC(C)(C)CN1C[C@@]2(CCC[C@](C)(CO)C2)OC1=O
InChIInChI=1S/C15H27NO3/c1-13(2,3)9-16-10-15(19-12(16)18)7-5-6-14(4,8-15)11-17/h17H,5-11H2,1-4H3/t14-,15-/m0/s1
InChIKeyCTFKAWSIVBLMMT-GJZGRUSLSA-N
XLogP2.80
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.38
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (5S,7S)-3-(2,2-dimethylpropyl)-7-(hydroxymethyl)-7-methyl-1-oxa-3-azaspiro[4.5]decan-2-one?
The IUPAC name of (5S,7S)-3-(2,2-dimethylpropyl)-7-(hydroxymethyl)-7-methyl-1-oxa-3-azaspiro[4.5]decan-2-one (CID 71136608) is (5S,7S)-3-(2,2-dimethylpropyl)-7-(hydroxymethyl)-7-methyl-1-oxa-3-azaspiro[4.5]decan-2-one.
What is the SMILES notation for (5S,7S)-3-(2,2-dimethylpropyl)-7-(hydroxymethyl)-7-methyl-1-oxa-3-azaspiro[4.5]decan-2-one?
The canonical SMILES for (5S,7S)-3-(2,2-dimethylpropyl)-7-(hydroxymethyl)-7-methyl-1-oxa-3-azaspiro[4.5]decan-2-one is CC(C)(C)CN1C[C@@]2(CCC[C@](C)(CO)C2)OC1=O.
What is the InChIKey of (5S,7S)-3-(2,2-dimethylpropyl)-7-(hydroxymethyl)-7-methyl-1-oxa-3-azaspiro[4.5]decan-2-one?
The InChIKey is CTFKAWSIVBLMMT-GJZGRUSLSA-N. The full InChI is InChI=1S/C15H27NO3/c1-13(2,3)9-16-10-15(19-12(16)18)7-5-6-14(4,8-15)11-17/h17H,5-11H2,1-4H3/t14-,15-/m0/s1.
What are the key properties of (5S,7S)-3-(2,2-dimethylpropyl)-7-(hydroxymethyl)-7-methyl-1-oxa-3-azaspiro[4.5]decan-2-one?
(5S,7S)-3-(2,2-dimethylpropyl)-7-(hydroxymethyl)-7-methyl-1-oxa-3-azaspiro[4.5]decan-2-one has a molecular weight of 269.38 g/mol, XLogP of 2.80, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5S,7S)-3-(2,2-dimethylpropyl)-7-(hydroxymethyl)-7-methyl-1-oxa-3-azaspiro[4.5]decan-2-one is sourced from PubChem (CID 71136608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).