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

C9H15NO3 — CID 167736831

IUPAC6-oxa-2-azaspiro[4.5]decane-7-carboxylic acid
SMILESO=C(O)C1CCCC2(CCNC2)O1
InChIInChI=1S/C9H15NO3/c11-8(12)7-2-1-3-9(13-7)4-5-10-6-9/h7,10H,1-6H2,(H,11,12)
InChIKeyDOVNOOITXNRIED-UHFFFAOYSA-N
MW185.22 g/mol
LogP0.37
Rot. Bonds1

About 6-oxa-2-azaspiro[4.5]decane-7-carboxylic acid

6-oxa-2-azaspiro[4.5]decane-7-carboxylic acid (PubChem CID 167736831) has the molecular formula C9H15NO3 and a molecular weight of 185.22 g/mol. Its IUPAC name is 6-oxa-2-azaspiro[4.5]decane-7-carboxylic acid.

Molecular Properties

Compound Name6-oxa-2-azaspiro[4.5]decane-7-carboxylic acid
PubChem CID167736831
Molecular FormulaC9H15NO3
Molecular Weight185.22 g/mol
Exact Mass185.11
IUPAC Name6-oxa-2-azaspiro[4.5]decane-7-carboxylic acid
SMILESO=C(O)C1CCCC2(CCNC2)O1
InChIInChI=1S/C9H15NO3/c11-8(12)7-2-1-3-9(13-7)4-5-10-6-9/h7,10H,1-6H2,(H,11,12)
InChIKeyDOVNOOITXNRIED-UHFFFAOYSA-N
XLogP0.37
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.22
LogP ≤ 50.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-oxaspiro[4.4]nonane-2-carboxylic acid
CID 130585120
3-(1-oxaspiro[4.5]decan-2-ylmethyl)pyrrolidine-3-carboxylic acid
CID 102899318
1,9-dioxaspiro[4.6]undecane-2-carboxylic acid
CID 130585145
N-[[(5R,7S)-6-oxa-2-azaspiro[4.5]decan-7-yl]methyl]ethanesulfonamide;2,2,2-trifluoroacetic acid
CID 155859591
N-[[(5R,7R)-6-oxa-2-azaspiro[4.5]decan-7-yl]methyl]methanesulfonamide
CID 97476555
1-oxa-7-azaspiro[4.4]nonan-2-ylmethanol
CID 167731589
3-(1-oxaspiro[4.5]decan-2-ylmethyl)piperidine-3-carboxylic acid
CID 102899317
6-cyclobutyl-6-methyloxane-2-carboxylic acid
CID 127002208
7-cyclopropyl-6-oxa-9-azaspiro[4.5]decane
CID 65211024
(2S,6R)-oxane-2,6-dicarboxylic acid
CID 22804348
N-[[(5R,7S)-6-oxa-2-azaspiro[4.5]decan-7-yl]methyl]benzamide;2,2,2-trifluoroacetic acid
CID 155861602
2-tert-butyl-1-oxa-4-azaspiro[5.5]undecane
CID 65103646

Frequently Asked Questions

What is the IUPAC name of 6-oxa-2-azaspiro[4.5]decane-7-carboxylic acid?
The IUPAC name of 6-oxa-2-azaspiro[4.5]decane-7-carboxylic acid (CID 167736831) is 6-oxa-2-azaspiro[4.5]decane-7-carboxylic acid.
What is the SMILES notation for 6-oxa-2-azaspiro[4.5]decane-7-carboxylic acid?
The canonical SMILES for 6-oxa-2-azaspiro[4.5]decane-7-carboxylic acid is O=C(O)C1CCCC2(CCNC2)O1.
What is the InChIKey of 6-oxa-2-azaspiro[4.5]decane-7-carboxylic acid?
The InChIKey is DOVNOOITXNRIED-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15NO3/c11-8(12)7-2-1-3-9(13-7)4-5-10-6-9/h7,10H,1-6H2,(H,11,12).
What are the key properties of 6-oxa-2-azaspiro[4.5]decane-7-carboxylic acid?
6-oxa-2-azaspiro[4.5]decane-7-carboxylic acid has a molecular weight of 185.22 g/mol, XLogP of 0.37, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-oxa-2-azaspiro[4.5]decane-7-carboxylic acid is sourced from PubChem (CID 167736831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).