7-oxa-2-azaspiro[4.5]decane-2-carboxylic acid

C9H15NO3 — CID 137462533

IUPAC7-oxa-2-azaspiro[4.5]decane-2-carboxylic acid
SMILESO=C(O)N1CCC2(CCCOC2)C1
InChIInChI=1S/C9H15NO3/c11-8(12)10-4-3-9(6-10)2-1-5-13-7-9/h1-7H2,(H,11,12)
InChIKeyLZBRTCFJJHXCIN-UHFFFAOYSA-N
MW185.22 g/mol
LogP1.17
Rot. Bonds

About 7-oxa-2-azaspiro[4.5]decane-2-carboxylic acid

7-oxa-2-azaspiro[4.5]decane-2-carboxylic acid (PubChem CID 137462533) has the molecular formula C9H15NO3 and a molecular weight of 185.22 g/mol. Its IUPAC name is 7-oxa-2-azaspiro[4.5]decane-2-carboxylic acid.

Molecular Properties

Compound Name7-oxa-2-azaspiro[4.5]decane-2-carboxylic acid
PubChem CID137462533
Molecular FormulaC9H15NO3
Molecular Weight185.22 g/mol
Exact Mass185.11
IUPAC Name7-oxa-2-azaspiro[4.5]decane-2-carboxylic acid
SMILESO=C(O)N1CCC2(CCCOC2)C1
InChIInChI=1S/C9H15NO3/c11-8(12)10-4-3-9(6-10)2-1-5-13-7-9/h1-7H2,(H,11,12)
InChIKeyLZBRTCFJJHXCIN-UHFFFAOYSA-N
XLogP1.17
TPSA49.77 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

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Related Compounds

Tert-butyl 2-oxa-7-azaspiro[4.5]decane-7-carboxylate
CID 21955140
1-Oxa-8-azaspiro[4.5]decane-8-carboxylic acid
CID 22224984
2-Oxa-8-azaspiro[4.5]decane-8-carboxylic acid
CID 68631878
8-Oxa-2-azaspiro[4.5]decane-2-carboxylic acid
CID 70250791
1-Tert-butyl-2-oxa-8-azaspiro[4.5]decane-8-carboxylic acid
CID 71650848
3-Methyl-2-oxa-8-azaspiro[4.5]decane-8-carboxylic acid
CID 124140950
2-Oxa-7-azaspiro[4.4]nonane-7-carboxylic acid
CID 137462525
(5R)-7-oxa-2-azaspiro[4.5]decane-2-carboxylic acid
CID 137462532
(5R)-2-oxa-7-azaspiro[4.4]nonane-7-carboxylic acid
CID 137462536
(5S)-7-oxa-2-azaspiro[4.5]decane-2-carboxylic acid
CID 137462541
(5S)-2-oxa-7-azaspiro[4.4]nonane-7-carboxylic acid
CID 137462555
2-Oxa-9-azaspiro[4.5]decane-9-carboxylic acid
CID 146624031

Frequently Asked Questions

What is the IUPAC name of 7-oxa-2-azaspiro[4.5]decane-2-carboxylic acid?
The IUPAC name of 7-oxa-2-azaspiro[4.5]decane-2-carboxylic acid (CID 137462533) is 7-oxa-2-azaspiro[4.5]decane-2-carboxylic acid.
What is the SMILES notation for 7-oxa-2-azaspiro[4.5]decane-2-carboxylic acid?
The canonical SMILES for 7-oxa-2-azaspiro[4.5]decane-2-carboxylic acid is O=C(O)N1CCC2(CCCOC2)C1.
What is the InChIKey of 7-oxa-2-azaspiro[4.5]decane-2-carboxylic acid?
The InChIKey is LZBRTCFJJHXCIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15NO3/c11-8(12)10-4-3-9(6-10)2-1-5-13-7-9/h1-7H2,(H,11,12).
What are the key properties of 7-oxa-2-azaspiro[4.5]decane-2-carboxylic acid?
7-oxa-2-azaspiro[4.5]decane-2-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 7-oxa-2-azaspiro[4.5]decane-2-carboxylic acid is sourced from PubChem (CID 137462533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).