2-oxa-7-azaspiro[3.4]octane-6-carboxylic acid

C7H11NO3 — CID 155487338

IUPAC2-oxa-7-azaspiro[3.4]octane-6-carboxylic acid
SMILESO=C(O)C1CC2(CN1)COC2
InChIInChI=1S/C7H11NO3/c9-6(10)5-1-7(2-8-5)3-11-4-7/h5,8H,1-4H2,(H,9,10)
InChIKeyMAODLKUUVGCQCO-UHFFFAOYSA-N
MW157.17 g/mol
LogP-0.55
Rot. Bonds1

About 2-oxa-7-azaspiro[3.4]octane-6-carboxylic acid

2-oxa-7-azaspiro[3.4]octane-6-carboxylic acid (PubChem CID 155487338) has the molecular formula C7H11NO3 and a molecular weight of 157.17 g/mol. Its IUPAC name is 2-oxa-7-azaspiro[3.4]octane-6-carboxylic acid.

Molecular Properties

Compound Name2-oxa-7-azaspiro[3.4]octane-6-carboxylic acid
PubChem CID155487338
Molecular FormulaC7H11NO3
Molecular Weight157.17 g/mol
Exact Mass157.07
IUPAC Name2-oxa-7-azaspiro[3.4]octane-6-carboxylic acid
SMILESO=C(O)C1CC2(CN1)COC2
InChIInChI=1S/C7H11NO3/c9-6(10)5-1-7(2-8-5)3-11-4-7/h5,8H,1-4H2,(H,9,10)
InChIKeyMAODLKUUVGCQCO-UHFFFAOYSA-N
XLogP-0.55
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 ≤ 5-0.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-oxa-7-azaspiro[3.4]octane-6-carboxylic acid?
The IUPAC name of 2-oxa-7-azaspiro[3.4]octane-6-carboxylic acid (CID 155487338) is 2-oxa-7-azaspiro[3.4]octane-6-carboxylic acid.
What is the SMILES notation for 2-oxa-7-azaspiro[3.4]octane-6-carboxylic acid?
The canonical SMILES for 2-oxa-7-azaspiro[3.4]octane-6-carboxylic acid is O=C(O)C1CC2(CN1)COC2.
What is the InChIKey of 2-oxa-7-azaspiro[3.4]octane-6-carboxylic acid?
The InChIKey is MAODLKUUVGCQCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11NO3/c9-6(10)5-1-7(2-8-5)3-11-4-7/h5,8H,1-4H2,(H,9,10).
What are the key properties of 2-oxa-7-azaspiro[3.4]octane-6-carboxylic acid?
2-oxa-7-azaspiro[3.4]octane-6-carboxylic acid has a molecular weight of 157.17 g/mol, XLogP of -0.55, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-oxa-7-azaspiro[3.4]octane-6-carboxylic acid is sourced from PubChem (CID 155487338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).