4,4-dimethyl-1-oxa-6-azaspiro[2.5]octane-6-carboxylic acid

C9H15NO3 — CID 139347170

IUPAC4,4-dimethyl-1-oxa-6-azaspiro[2.5]octane-6-carboxylic acid
SMILESCC1(C)CN(C(=O)O)CCC12CO2
InChIInChI=1S/C9H15NO3/c1-8(2)5-10(7(11)12)4-3-9(8)6-13-9/h3-6H2,1-2H3,(H,11,12)
InChIKeyIMAVMJVDFVPPHN-UHFFFAOYSA-N
MW185.22 g/mol
LogP1.17
Rot. Bonds

About 4,4-dimethyl-1-oxa-6-azaspiro[2.5]octane-6-carboxylic acid

4,4-dimethyl-1-oxa-6-azaspiro[2.5]octane-6-carboxylic acid (PubChem CID 139347170) has the molecular formula C9H15NO3 and a molecular weight of 185.22 g/mol. Its IUPAC name is 4,4-dimethyl-1-oxa-6-azaspiro[2.5]octane-6-carboxylic acid.

Molecular Properties

Compound Name4,4-dimethyl-1-oxa-6-azaspiro[2.5]octane-6-carboxylic acid
PubChem CID139347170
Molecular FormulaC9H15NO3
Molecular Weight185.22 g/mol
Exact Mass185.11
IUPAC Name4,4-dimethyl-1-oxa-6-azaspiro[2.5]octane-6-carboxylic acid
SMILESCC1(C)CN(C(=O)O)CCC12CO2
InChIInChI=1S/C9H15NO3/c1-8(2)5-10(7(11)12)4-3-9(8)6-13-9/h3-6H2,1-2H3,(H,11,12)
InChIKeyIMAVMJVDFVPPHN-UHFFFAOYSA-N
XLogP1.17
TPSA53.07 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.22
LogP ≤ 51.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Related Compounds

3-methylpyrrolidine-1,3-dicarboxylic acid
CID 23111893
3-fluoro-4-hydroxy-3,4-dimethylpiperidine-1-carboxylic acid
CID 156538627
2,7-diazaspiro[3.4]octane-2,7-dicarboxylic acid
CID 154311933
4-hydroxy-4-methylpiperidine-1-carboxylic acid
CID 22507740
4-hydroxy-3,3-dimethyl-2-oxa-8-azaspiro[4.5]decane-8-carboxylic acid
CID 90970306
4-methyl-4-sulfanylpiperidine-1-carboxylic acid
CID 134329001
4-(4-fluorophenyl)-4-hydroxy-3,3-dimethylpiperidine-1-carboxylic acid
CID 67299829
4-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-4-methylpiperidine-1-carboxylic acid
CID 69088167
4-[[(2S)-2-methyloxiran-2-yl]methyl]piperazine-1-carboxylic acid
CID 87851926
1-[4,4-bis(hydroxymethyl)piperidin-1-yl]ethanone
CID 165440310
3-hydroxy-3-(trifluoromethyl)pyrrolidine-1-carboxylic acid
CID 68965543
4-methyl-4-(pyrrolidine-1-carbonyl)piperidine-1-carboxylic acid
CID 68759041

Frequently Asked Questions

What is the IUPAC name of 4,4-dimethyl-1-oxa-6-azaspiro[2.5]octane-6-carboxylic acid?
The IUPAC name of 4,4-dimethyl-1-oxa-6-azaspiro[2.5]octane-6-carboxylic acid (CID 139347170) is 4,4-dimethyl-1-oxa-6-azaspiro[2.5]octane-6-carboxylic acid.
What is the SMILES notation for 4,4-dimethyl-1-oxa-6-azaspiro[2.5]octane-6-carboxylic acid?
The canonical SMILES for 4,4-dimethyl-1-oxa-6-azaspiro[2.5]octane-6-carboxylic acid is CC1(C)CN(C(=O)O)CCC12CO2.
What is the InChIKey of 4,4-dimethyl-1-oxa-6-azaspiro[2.5]octane-6-carboxylic acid?
The InChIKey is IMAVMJVDFVPPHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15NO3/c1-8(2)5-10(7(11)12)4-3-9(8)6-13-9/h3-6H2,1-2H3,(H,11,12).
What are the key properties of 4,4-dimethyl-1-oxa-6-azaspiro[2.5]octane-6-carboxylic acid?
4,4-dimethyl-1-oxa-6-azaspiro[2.5]octane-6-carboxylic acid has a molecular weight of 185.22 g/mol, XLogP of 1.17, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-dimethyl-1-oxa-6-azaspiro[2.5]octane-6-carboxylic acid is sourced from PubChem (CID 139347170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).