1-oxa-7-azaspiro[4.4]nonane-8-carboxylic acid

C8H13NO3 — CID 66788698

IUPAC1-oxa-7-azaspiro[4.4]nonane-8-carboxylic acid
SMILESO=C(O)C1CC2(CCCO2)CN1
InChIInChI=1S/C8H13NO3/c10-7(11)6-4-8(5-9-6)2-1-3-12-8/h6,9H,1-5H2,(H,10,11)
InChIKeyDCFPHHFUUMBPBC-UHFFFAOYSA-N
MW171.20 g/mol
LogP-0.02
Rot. Bonds1

About 1-oxa-7-azaspiro[4.4]nonane-8-carboxylic acid

1-oxa-7-azaspiro[4.4]nonane-8-carboxylic acid (PubChem CID 66788698) has the molecular formula C8H13NO3 and a molecular weight of 171.20 g/mol. Its IUPAC name is 1-oxa-7-azaspiro[4.4]nonane-8-carboxylic acid.

Molecular Properties

Compound Name1-oxa-7-azaspiro[4.4]nonane-8-carboxylic acid
PubChem CID66788698
Molecular FormulaC8H13NO3
Molecular Weight171.20 g/mol
Exact Mass171.09
IUPAC Name1-oxa-7-azaspiro[4.4]nonane-8-carboxylic acid
SMILESO=C(O)C1CC2(CCCO2)CN1
InChIInChI=1S/C8H13NO3/c10-7(11)6-4-8(5-9-6)2-1-3-12-8/h6,9H,1-5H2,(H,10,11)
InChIKeyDCFPHHFUUMBPBC-UHFFFAOYSA-N
XLogP-0.02
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.20
LogP ≤ 5-0.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2S,4R)-4-(cyclohexanecarbonyloxy)pyrrolidine-2-carboxylic acid
CID 25215052
Dioxa-7-azaspiro[4,4]nonane-8(s)-carboxylic acid ethyl ester
CID 129795855
(2R,4R)-4-(cyclohexanecarbonyloxy)pyrrolidine-2-carboxylic acid
CID 179010087
4-Butyl-4-hydroxypyrrolidine-2-carboxylic acid
CID 18446434
7-Oxa-1-azaspiro[4.4]nonane-2-carboxylic acid
CID 18964750
3-[5-[(2-Methylpropan-2-yl)oxycarbonyl]pyrrolidin-3-yl]propanoic acid
CID 57032548
(2S)-ethyl 4-hydroxy-4-methylpyrrolidine-2-carboxylate
CID 57601162
(2S)-4-(cyclohexylmethoxy)pyrrolidine-2-carboxylic acid
CID 67821235
(2S,4S)-4-(cyclohexylmethoxy)pyrrolidine-2-carboxylic acid
CID 67821236
methyl (2S)-4-butyl-4-hydroxypyrrolidine-2-carboxylate
CID 69222028
(2S)-4-butyl-4-hydroxypyrrolidine-2-carboxylic acid
CID 69469994
1,2-Dioxa-7-azaspiro[4.4]nonane-8-carboxylic acid
CID 87944851

Frequently Asked Questions

What is the IUPAC name of 1-oxa-7-azaspiro[4.4]nonane-8-carboxylic acid?
The IUPAC name of 1-oxa-7-azaspiro[4.4]nonane-8-carboxylic acid (CID 66788698) is 1-oxa-7-azaspiro[4.4]nonane-8-carboxylic acid.
What is the SMILES notation for 1-oxa-7-azaspiro[4.4]nonane-8-carboxylic acid?
The canonical SMILES for 1-oxa-7-azaspiro[4.4]nonane-8-carboxylic acid is O=C(O)C1CC2(CCCO2)CN1.
What is the InChIKey of 1-oxa-7-azaspiro[4.4]nonane-8-carboxylic acid?
The InChIKey is DCFPHHFUUMBPBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13NO3/c10-7(11)6-4-8(5-9-6)2-1-3-12-8/h6,9H,1-5H2,(H,10,11).
What are the key properties of 1-oxa-7-azaspiro[4.4]nonane-8-carboxylic acid?
1-oxa-7-azaspiro[4.4]nonane-8-carboxylic acid has a molecular weight of 171.20 g/mol, XLogP of -0.02, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-oxa-7-azaspiro[4.4]nonane-8-carboxylic acid is sourced from PubChem (CID 66788698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).