6-oxa-2-azaspiro[3.4]octane-8-carboxylic acid

C7H11NO3 — CID 155893861

IUPAC6-oxa-2-azaspiro[3.4]octane-8-carboxylic acid
SMILESO=C(O)C1COCC12CNC2
InChIInChI=1S/C7H11NO3/c9-6(10)5-1-11-4-7(5)2-8-3-7/h5,8H,1-4H2,(H,9,10)
InChIKeyHALKMURLESVQFK-UHFFFAOYSA-N
MW157.17 g/mol
LogP-0.69
Rot. Bonds1

About 6-oxa-2-azaspiro[3.4]octane-8-carboxylic acid

6-oxa-2-azaspiro[3.4]octane-8-carboxylic acid (PubChem CID 155893861) has the molecular formula C7H11NO3 and a molecular weight of 157.17 g/mol. Its IUPAC name is 6-oxa-2-azaspiro[3.4]octane-8-carboxylic acid.

Molecular Properties

Compound Name6-oxa-2-azaspiro[3.4]octane-8-carboxylic acid
PubChem CID155893861
Molecular FormulaC7H11NO3
Molecular Weight157.17 g/mol
Exact Mass157.07
IUPAC Name6-oxa-2-azaspiro[3.4]octane-8-carboxylic acid
SMILESO=C(O)C1COCC12CNC2
InChIInChI=1S/C7H11NO3/c9-6(10)5-1-11-4-7(5)2-8-3-7/h5,8H,1-4H2,(H,9,10)
InChIKeyHALKMURLESVQFK-UHFFFAOYSA-N
XLogP-0.69
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.17
LogP ≤ 5-0.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(5R,9R)-2-oxa-7-azaspiro[4.4]nonane-9-carboxylic acid
CID 95255158
5-azaspiro[2.3]hexane-2-carboxylic acid;2,2,2-trifluoroacetic acid
CID 155822908
5-azaspiro[2.5]octane-2-carboxylic acid;hydrochloride
CID 122163372
4,4-dimethyloxane-3-carboxylic acid
CID 83669967
1-(5-azaspiro[2.3]hexan-2-yl)ethanone
CID 84647837
(2R,3R)-5-oxaspiro[2.5]octane-2-carboxylic acid
CID 95364014
6-azaspiro[2.5]octane-2-carboxylic acid
CID 51342230
2,2-dimethyl-6-azaspiro[3.4]octane-8-carboxylic acid
CID 131143190
2,2,2-trifluoro-N-[(5S)-2-oxa-7-azaspiro[3.4]octan-5-yl]acetamide
CID 97305493
4,4-diethylpyrrolidine-3-carboxylic acid
CID 63939611
(3S,4S)-4-(2-fluorophenyl)-4-(methylamino)oxolane-3-carboxylic acid
CID 66868946
(4R)-4-methyl-2-oxa-8-azaspiro[4.5]decane
CID 89206971

Frequently Asked Questions

What is the IUPAC name of 6-oxa-2-azaspiro[3.4]octane-8-carboxylic acid?
The IUPAC name of 6-oxa-2-azaspiro[3.4]octane-8-carboxylic acid (CID 155893861) is 6-oxa-2-azaspiro[3.4]octane-8-carboxylic acid.
What is the SMILES notation for 6-oxa-2-azaspiro[3.4]octane-8-carboxylic acid?
The canonical SMILES for 6-oxa-2-azaspiro[3.4]octane-8-carboxylic acid is O=C(O)C1COCC12CNC2.
What is the InChIKey of 6-oxa-2-azaspiro[3.4]octane-8-carboxylic acid?
The InChIKey is HALKMURLESVQFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11NO3/c9-6(10)5-1-11-4-7(5)2-8-3-7/h5,8H,1-4H2,(H,9,10).
What are the key properties of 6-oxa-2-azaspiro[3.4]octane-8-carboxylic acid?
6-oxa-2-azaspiro[3.4]octane-8-carboxylic acid has a molecular weight of 157.17 g/mol, XLogP of -0.69, 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[3.4]octane-8-carboxylic acid is sourced from PubChem (CID 155893861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).