3-hydroxy-7,9-dimethyl-8-oxa-2-azaspiro[4.5]decane-2-carboxylic acid

C11H19NO4 — CID 175780685

IUPAC3-hydroxy-7,9-dimethyl-8-oxa-2-azaspiro[4.5]decane-2-carboxylic acid
SMILESCC1CC2(CC(C)O1)CC(O)N(C(=O)O)C2
InChIInChI=1S/C11H19NO4/c1-7-3-11(4-8(2)16-7)5-9(13)12(6-11)10(14)15/h7-9,13H,3-6H2,1-2H3,(H,14,15)
InChIKeyXHCWZHMZLODFQU-UHFFFAOYSA-N
MW229.28 g/mol
LogP1.26
Rot. Bonds

About 3-hydroxy-7,9-dimethyl-8-oxa-2-azaspiro[4.5]decane-2-carboxylic acid

3-hydroxy-7,9-dimethyl-8-oxa-2-azaspiro[4.5]decane-2-carboxylic acid (PubChem CID 175780685) has the molecular formula C11H19NO4 and a molecular weight of 229.28 g/mol. Its IUPAC name is 3-hydroxy-7,9-dimethyl-8-oxa-2-azaspiro[4.5]decane-2-carboxylic acid.

Molecular Properties

Compound Name3-hydroxy-7,9-dimethyl-8-oxa-2-azaspiro[4.5]decane-2-carboxylic acid
PubChem CID175780685
Molecular FormulaC11H19NO4
Molecular Weight229.28 g/mol
Exact Mass229.13
IUPAC Name3-hydroxy-7,9-dimethyl-8-oxa-2-azaspiro[4.5]decane-2-carboxylic acid
SMILESCC1CC2(CC(C)O1)CC(O)N(C(=O)O)C2
InChIInChI=1S/C11H19NO4/c1-7-3-11(4-8(2)16-7)5-9(13)12(6-11)10(14)15/h7-9,13H,3-6H2,1-2H3,(H,14,15)
InChIKeyXHCWZHMZLODFQU-UHFFFAOYSA-N
XLogP1.26
TPSA70.00 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.28
LogP ≤ 51.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 162481650
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CID 175780695
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CID 175780718
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CID 175780735
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CID 176907672
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CID 52324492
CID 52324492

Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-7,9-dimethyl-8-oxa-2-azaspiro[4.5]decane-2-carboxylic acid?
The IUPAC name of 3-hydroxy-7,9-dimethyl-8-oxa-2-azaspiro[4.5]decane-2-carboxylic acid (CID 175780685) is 3-hydroxy-7,9-dimethyl-8-oxa-2-azaspiro[4.5]decane-2-carboxylic acid.
What is the SMILES notation for 3-hydroxy-7,9-dimethyl-8-oxa-2-azaspiro[4.5]decane-2-carboxylic acid?
The canonical SMILES for 3-hydroxy-7,9-dimethyl-8-oxa-2-azaspiro[4.5]decane-2-carboxylic acid is CC1CC2(CC(C)O1)CC(O)N(C(=O)O)C2.
What is the InChIKey of 3-hydroxy-7,9-dimethyl-8-oxa-2-azaspiro[4.5]decane-2-carboxylic acid?
The InChIKey is XHCWZHMZLODFQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NO4/c1-7-3-11(4-8(2)16-7)5-9(13)12(6-11)10(14)15/h7-9,13H,3-6H2,1-2H3,(H,14,15).
What are the key properties of 3-hydroxy-7,9-dimethyl-8-oxa-2-azaspiro[4.5]decane-2-carboxylic acid?
3-hydroxy-7,9-dimethyl-8-oxa-2-azaspiro[4.5]decane-2-carboxylic acid has a molecular weight of 229.28 g/mol, XLogP of 1.26, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-7,9-dimethyl-8-oxa-2-azaspiro[4.5]decane-2-carboxylic acid is sourced from PubChem (CID 175780685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).