(4S)-4-hydroxy-3,4,7,7,9,9-hexamethyl-1-oxa-3-aza-8-azoniaspiro[4.5]decan-2-one

C13H25N2O3+ — CID 6919977

IUPAC(4S)-4-hydroxy-3,4,7,7,9,9-hexamethyl-1-oxa-3-aza-8-azoniaspiro[4.5]decan-2-one
SMILESCN1C(=O)OC2(CC(C)(C)[NH2+]C(C)(C)C2)[C@]1(C)O
InChIInChI=1S/C13H24N2O3/c1-10(2)7-13(8-11(3,4)14-10)12(5,17)15(6)9(16)18-13/h14,17H,7-8H2,1-6H3/p+1/t12-/m0/s1
InChIKeySVBLLSQZYQNSJW-LBPRGKRZSA-O
MW257.35 g/mol
LogP0.43
Rot. Bonds

About (4S)-4-hydroxy-3,4,7,7,9,9-hexamethyl-1-oxa-3-aza-8-azoniaspiro[4.5]decan-2-one

(4S)-4-hydroxy-3,4,7,7,9,9-hexamethyl-1-oxa-3-aza-8-azoniaspiro[4.5]decan-2-one (PubChem CID 6919977) has the molecular formula C13H25N2O3+ and a molecular weight of 257.35 g/mol. Its IUPAC name is (4S)-4-hydroxy-3,4,7,7,9,9-hexamethyl-1-oxa-3-aza-8-azoniaspiro[4.5]decan-2-one.

Molecular Properties

Compound Name(4S)-4-hydroxy-3,4,7,7,9,9-hexamethyl-1-oxa-3-aza-8-azoniaspiro[4.5]decan-2-one
PubChem CID6919977
Molecular FormulaC13H25N2O3+
Molecular Weight257.35 g/mol
Exact Mass257.19
IUPAC Name(4S)-4-hydroxy-3,4,7,7,9,9-hexamethyl-1-oxa-3-aza-8-azoniaspiro[4.5]decan-2-one
SMILESCN1C(=O)OC2(CC(C)(C)[NH2+]C(C)(C)C2)[C@]1(C)O
InChIInChI=1S/C13H24N2O3/c1-10(2)7-13(8-11(3,4)14-10)12(5,17)15(6)9(16)18-13/h14,17H,7-8H2,1-6H3/p+1/t12-/m0/s1
InChIKeySVBLLSQZYQNSJW-LBPRGKRZSA-O
XLogP0.43
TPSA66.38 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.35
LogP ≤ 50.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze (4S)-4-hydroxy-3,4,7,7,9,9-hexamethyl-1-oxa-3-aza-8-azoniaspiro[4.5]decan-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(4R)-4-hydroxy-3,4,7,7,9,9-hexamethyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one
CID 674434
(4S)-4-hydroxy-4,7,7,9,9-pentamethyl-3-(2,2,6,6-tetramethylpiperidin-1-ium-4-yl)-1-oxa-3-aza-8-azoniaspiro[4.5]decan-2-one
CID 6960429
4-hydroxy-4,7,7,9,9-pentamethyl-3-(pyridin-2-ylmethyl)-1-oxa-3-aza-8-azoniaspiro[4.5]decan-2-one
CID 5076439
2',2',6',6',10b-pentamethylspiro[5,6-dihydro-[1,3]oxazolo[4,3-a]isoquinoline-1,4'-piperidin-1-ium]-3-one
CID 4522840
8-(3,3-diphenylprop-2-enyl)-4-hydroxy-3,4-dimethyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one
CID 19887476
(4R)-3-cyclopropyl-4-hydroxy-4,7,7,9,9-pentamethyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one
CID 674436
8-benzyl-4-hydroxy-3,4-dimethyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one;2,2,2-trifluoroacetic acid
CID 67901829
5-hydroxy-3,5-dimethyl-1,3-oxazolidin-2-one
CID 166457859
4-[(4S)-4-hydroxy-4-methyl-2-oxo-1-oxa-3-azaspiro[4.5]decan-3-yl]butanoic acid
CID 1254843
4-hydroxy-3-(2-hydroxy-2-phenylethyl)-4,7,7,9,9-pentamethyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one
CID 630125
(6S)-1-ethyl-6-hydroxy-3,4,4,6-tetramethyl-1,3-diazinan-2-one
CID 6989590
5-(chloromethyl)-3,5-dimethyl-1,3-oxazolidin-2-one
CID 123845918

Frequently Asked Questions

What is the IUPAC name of (4S)-4-hydroxy-3,4,7,7,9,9-hexamethyl-1-oxa-3-aza-8-azoniaspiro[4.5]decan-2-one?
The IUPAC name of (4S)-4-hydroxy-3,4,7,7,9,9-hexamethyl-1-oxa-3-aza-8-azoniaspiro[4.5]decan-2-one (CID 6919977) is (4S)-4-hydroxy-3,4,7,7,9,9-hexamethyl-1-oxa-3-aza-8-azoniaspiro[4.5]decan-2-one.
What is the SMILES notation for (4S)-4-hydroxy-3,4,7,7,9,9-hexamethyl-1-oxa-3-aza-8-azoniaspiro[4.5]decan-2-one?
The canonical SMILES for (4S)-4-hydroxy-3,4,7,7,9,9-hexamethyl-1-oxa-3-aza-8-azoniaspiro[4.5]decan-2-one is CN1C(=O)OC2(CC(C)(C)[NH2+]C(C)(C)C2)[C@]1(C)O.
What is the InChIKey of (4S)-4-hydroxy-3,4,7,7,9,9-hexamethyl-1-oxa-3-aza-8-azoniaspiro[4.5]decan-2-one?
The InChIKey is SVBLLSQZYQNSJW-LBPRGKRZSA-O. The full InChI is InChI=1S/C13H24N2O3/c1-10(2)7-13(8-11(3,4)14-10)12(5,17)15(6)9(16)18-13/h14,17H,7-8H2,1-6H3/p+1/t12-/m0/s1.
What are the key properties of (4S)-4-hydroxy-3,4,7,7,9,9-hexamethyl-1-oxa-3-aza-8-azoniaspiro[4.5]decan-2-one?
(4S)-4-hydroxy-3,4,7,7,9,9-hexamethyl-1-oxa-3-aza-8-azoniaspiro[4.5]decan-2-one has a molecular weight of 257.35 g/mol, XLogP of 0.43, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-4-hydroxy-3,4,7,7,9,9-hexamethyl-1-oxa-3-aza-8-azoniaspiro[4.5]decan-2-one is sourced from PubChem (CID 6919977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).