(3R,4S,5S,6S,8R)-4-hydroxy-3-methyl-8-phenyl-6-propan-2-yl-7,9-dioxa-1-azaspiro[4.5]decan-2-one

C17H23NO4 — CID 11515026

IUPAC(3R,4S,5S,6S,8R)-4-hydroxy-3-methyl-8-phenyl-6-propan-2-yl-7,9-dioxa-1-azaspiro[4.5]decan-2-one
SMILESCC(C)[C@@H]1O[C@H](c2ccccc2)OC[C@@]12NC(=O)[C@H](C)[C@@H]2O
InChIInChI=1S/C17H23NO4/c1-10(2)14-17(13(19)11(3)15(20)18-17)9-21-16(22-14)12-7-5-4-6-8-12/h4-8,10-11,13-14,16,19H,9H2,1-3H3,(H,18,20)/t11-,13+,14+,16-,17+/m1/s1
InChIKeyIALAOYKQTIKOOJ-VJOHVRBBSA-N
MW305.37 g/mol
LogP1.62
Rot. Bonds2

About (3R,4S,5S,6S,8R)-4-hydroxy-3-methyl-8-phenyl-6-propan-2-yl-7,9-dioxa-1-azaspiro[4.5]decan-2-one

(3R,4S,5S,6S,8R)-4-hydroxy-3-methyl-8-phenyl-6-propan-2-yl-7,9-dioxa-1-azaspiro[4.5]decan-2-one (PubChem CID 11515026) has the molecular formula C17H23NO4 and a molecular weight of 305.37 g/mol. Its IUPAC name is (3R,4S,5S,6S,8R)-4-hydroxy-3-methyl-8-phenyl-6-propan-2-yl-7,9-dioxa-1-azaspiro[4.5]decan-2-one.

Molecular Properties

Compound Name(3R,4S,5S,6S,8R)-4-hydroxy-3-methyl-8-phenyl-6-propan-2-yl-7,9-dioxa-1-azaspiro[4.5]decan-2-one
PubChem CID11515026
Molecular FormulaC17H23NO4
Molecular Weight305.37 g/mol
Exact Mass305.16
IUPAC Name(3R,4S,5S,6S,8R)-4-hydroxy-3-methyl-8-phenyl-6-propan-2-yl-7,9-dioxa-1-azaspiro[4.5]decan-2-one
SMILESCC(C)[C@@H]1O[C@H](c2ccccc2)OC[C@@]12NC(=O)[C@H](C)[C@@H]2O
InChIInChI=1S/C17H23NO4/c1-10(2)14-17(13(19)11(3)15(20)18-17)9-21-16(22-14)12-7-5-4-6-8-12/h4-8,10-11,13-14,16,19H,9H2,1-3H3,(H,18,20)/t11-,13+,14+,16-,17+/m1/s1
InChIKeyIALAOYKQTIKOOJ-VJOHVRBBSA-N
XLogP1.62
TPSA67.79 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.37
LogP ≤ 51.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze (3R,4S,5S,6S,8R)-4-hydroxy-3-methyl-8-phenyl-6-propan-2-yl-7,9-dioxa-1-azaspiro[4.5]decan-2-one with MolForge

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Related Compounds

(3R,4R,5S,6S,8R)-3,4-dihydroxy-3-methyl-8-phenyl-6-propan-2-yl-7,9-dioxa-1-azaspiro[4.5]decan-2-one
CID 11493503
(2R,3'aR,4S,5R,6'aR)-3'a-methyl-2-phenyl-4-propan-2-yl-2'-sulfanylidenespiro[1,3-dioxane-5,6'-5,6a-dihydro-[1,3]dioxolo[4,5-c]pyrrole]-4'-one
CID 11523408
ethyl (2S)-2-[(1R)-2-methyl-1-phenylmethoxypropyl]-5-oxopyrrolidine-2-carboxylate
CID 45102843
benzyl (2R,3S)-3-hydroxy-4-methylidene-5-oxo-2-propan-2-ylpyrrolidine-2-carboxylate
CID 72375349
benzyl (2R,3S)-3-hydroxy-4-methylidene-2-(2-methylpropyl)-5-oxopyrrolidine-2-carboxylate
CID 72375350
[(1S)-1-[(2R,3S,4R)-3-acetyloxy-2-(hydroxymethyl)-4-methyl-5-oxopyrrolidin-2-yl]-2-methylpropyl] benzoate
CID 134940931
methyl (2R,3aR,6R,6aS)-6-[(S)-[(1S)-cyclohex-2-en-1-yl]-hydroxymethyl]-6a-methyl-4-oxo-2-phenylmethoxy-2,3,3a,5-tetrahydrofuro[2,3-c]pyrrole-6-carboxylate
CID 134941580
(5R)-5-(hydroxymethyl)-5-[(1R)-2-methyl-1-phenylmethoxypropyl]pyrrolidin-2-one
CID 135039833
RAS-2-OCbz
CID 139115332
(3R,4S,5S,8R)-4-hydroxy-3-methyl-8-phenyl-6-propan-2-yl-7,9-dioxa-1-azaspiro[4.5]decan-2-one
CID 176425507
[1-[(2S,3S,4R)-3-hydroxy-2-(hydroxymethyl)-4-methyl-5-oxopyrrolidin-2-yl]-2-methylpropyl] benzoate
CID 176425508
(2S,3S,4R)-2-[(1S)-1-benzoyloxy-2-methylpropyl]-3-hydroxy-4-methyl-5-oxopyrrolidine-2-carboxylic acid
CID 11500940

Frequently Asked Questions

What is the IUPAC name of (3R,4S,5S,6S,8R)-4-hydroxy-3-methyl-8-phenyl-6-propan-2-yl-7,9-dioxa-1-azaspiro[4.5]decan-2-one?
The IUPAC name of (3R,4S,5S,6S,8R)-4-hydroxy-3-methyl-8-phenyl-6-propan-2-yl-7,9-dioxa-1-azaspiro[4.5]decan-2-one (CID 11515026) is (3R,4S,5S,6S,8R)-4-hydroxy-3-methyl-8-phenyl-6-propan-2-yl-7,9-dioxa-1-azaspiro[4.5]decan-2-one.
What is the SMILES notation for (3R,4S,5S,6S,8R)-4-hydroxy-3-methyl-8-phenyl-6-propan-2-yl-7,9-dioxa-1-azaspiro[4.5]decan-2-one?
The canonical SMILES for (3R,4S,5S,6S,8R)-4-hydroxy-3-methyl-8-phenyl-6-propan-2-yl-7,9-dioxa-1-azaspiro[4.5]decan-2-one is CC(C)[C@@H]1O[C@H](c2ccccc2)OC[C@@]12NC(=O)[C@H](C)[C@@H]2O.
What is the InChIKey of (3R,4S,5S,6S,8R)-4-hydroxy-3-methyl-8-phenyl-6-propan-2-yl-7,9-dioxa-1-azaspiro[4.5]decan-2-one?
The InChIKey is IALAOYKQTIKOOJ-VJOHVRBBSA-N. The full InChI is InChI=1S/C17H23NO4/c1-10(2)14-17(13(19)11(3)15(20)18-17)9-21-16(22-14)12-7-5-4-6-8-12/h4-8,10-11,13-14,16,19H,9H2,1-3H3,(H,18,20)/t11-,13+,14+,16-,17+/m1/s1.
What are the key properties of (3R,4S,5S,6S,8R)-4-hydroxy-3-methyl-8-phenyl-6-propan-2-yl-7,9-dioxa-1-azaspiro[4.5]decan-2-one?
(3R,4S,5S,6S,8R)-4-hydroxy-3-methyl-8-phenyl-6-propan-2-yl-7,9-dioxa-1-azaspiro[4.5]decan-2-one has a molecular weight of 305.37 g/mol, XLogP of 1.62, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4S,5S,6S,8R)-4-hydroxy-3-methyl-8-phenyl-6-propan-2-yl-7,9-dioxa-1-azaspiro[4.5]decan-2-one is sourced from PubChem (CID 11515026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).