2,8-dimethyl-1-oxa-8-azaspiro[4.5]decane-3-carboxylic acid

C11H19NO3 — CID 67903560

IUPAC2,8-dimethyl-1-oxa-8-azaspiro[4.5]decane-3-carboxylic acid
SMILESCC1OC2(CCN(C)CC2)CC1C(=O)O
InChIInChI=1S/C11H19NO3/c1-8-9(10(13)14)7-11(15-8)3-5-12(2)6-4-11/h8-9H,3-7H2,1-2H3,(H,13,14)
InChIKeySHFAEZHCYWZSIE-UHFFFAOYSA-N
MW213.28 g/mol
LogP0.96
Rot. Bonds1

About 2,8-dimethyl-1-oxa-8-azaspiro[4.5]decane-3-carboxylic acid

2,8-dimethyl-1-oxa-8-azaspiro[4.5]decane-3-carboxylic acid (PubChem CID 67903560) has the molecular formula C11H19NO3 and a molecular weight of 213.28 g/mol. Its IUPAC name is 2,8-dimethyl-1-oxa-8-azaspiro[4.5]decane-3-carboxylic acid.

Molecular Properties

Compound Name2,8-dimethyl-1-oxa-8-azaspiro[4.5]decane-3-carboxylic acid
PubChem CID67903560
Molecular FormulaC11H19NO3
Molecular Weight213.28 g/mol
Exact Mass213.14
IUPAC Name2,8-dimethyl-1-oxa-8-azaspiro[4.5]decane-3-carboxylic acid
SMILESCC1OC2(CCN(C)CC2)CC1C(=O)O
InChIInChI=1S/C11H19NO3/c1-8-9(10(13)14)7-11(15-8)3-5-12(2)6-4-11/h8-9H,3-7H2,1-2H3,(H,13,14)
InChIKeySHFAEZHCYWZSIE-UHFFFAOYSA-N
XLogP0.96
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.28
LogP ≤ 50.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,8-dimethyl-1-oxa-8-azaspiro[4.5]decane-3-carboxylic acid?
The IUPAC name of 2,8-dimethyl-1-oxa-8-azaspiro[4.5]decane-3-carboxylic acid (CID 67903560) is 2,8-dimethyl-1-oxa-8-azaspiro[4.5]decane-3-carboxylic acid.
What is the SMILES notation for 2,8-dimethyl-1-oxa-8-azaspiro[4.5]decane-3-carboxylic acid?
The canonical SMILES for 2,8-dimethyl-1-oxa-8-azaspiro[4.5]decane-3-carboxylic acid is CC1OC2(CCN(C)CC2)CC1C(=O)O.
What is the InChIKey of 2,8-dimethyl-1-oxa-8-azaspiro[4.5]decane-3-carboxylic acid?
The InChIKey is SHFAEZHCYWZSIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NO3/c1-8-9(10(13)14)7-11(15-8)3-5-12(2)6-4-11/h8-9H,3-7H2,1-2H3,(H,13,14).
What are the key properties of 2,8-dimethyl-1-oxa-8-azaspiro[4.5]decane-3-carboxylic acid?
2,8-dimethyl-1-oxa-8-azaspiro[4.5]decane-3-carboxylic acid has a molecular weight of 213.28 g/mol, XLogP of 0.96, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,8-dimethyl-1-oxa-8-azaspiro[4.5]decane-3-carboxylic acid is sourced from PubChem (CID 67903560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).