2,6-diazaspiro[3.4]octane-7-carboxylic acid

C7H12N2O2 — CID 165458055

IUPAC2,6-diazaspiro[3.4]octane-7-carboxylic acid
SMILESO=C(O)C1CC2(CNC2)CN1
InChIInChI=1S/C7H12N2O2/c10-6(11)5-1-7(4-9-5)2-8-3-7/h5,8-9H,1-4H2,(H,10,11)
InChIKeyQLDLIJFXOYBMRQ-UHFFFAOYSA-N
MW156.19 g/mol
LogP-0.98
Rot. Bonds1

About 2,6-diazaspiro[3.4]octane-7-carboxylic acid

2,6-diazaspiro[3.4]octane-7-carboxylic acid (PubChem CID 165458055) has the molecular formula C7H12N2O2 and a molecular weight of 156.19 g/mol. Its IUPAC name is 2,6-diazaspiro[3.4]octane-7-carboxylic acid.

Molecular Properties

Compound Name2,6-diazaspiro[3.4]octane-7-carboxylic acid
PubChem CID165458055
Molecular FormulaC7H12N2O2
Molecular Weight156.19 g/mol
Exact Mass156.09
IUPAC Name2,6-diazaspiro[3.4]octane-7-carboxylic acid
SMILESO=C(O)C1CC2(CNC2)CN1
InChIInChI=1S/C7H12N2O2/c10-6(11)5-1-7(4-9-5)2-8-3-7/h5,8-9H,1-4H2,(H,10,11)
InChIKeyQLDLIJFXOYBMRQ-UHFFFAOYSA-N
XLogP-0.98
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.19
LogP ≤ 5-0.98
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,6-diazaspiro[3.4]octane-7-carboxylic acid?
The IUPAC name of 2,6-diazaspiro[3.4]octane-7-carboxylic acid (CID 165458055) is 2,6-diazaspiro[3.4]octane-7-carboxylic acid.
What is the SMILES notation for 2,6-diazaspiro[3.4]octane-7-carboxylic acid?
The canonical SMILES for 2,6-diazaspiro[3.4]octane-7-carboxylic acid is O=C(O)C1CC2(CNC2)CN1.
What is the InChIKey of 2,6-diazaspiro[3.4]octane-7-carboxylic acid?
The InChIKey is QLDLIJFXOYBMRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N2O2/c10-6(11)5-1-7(4-9-5)2-8-3-7/h5,8-9H,1-4H2,(H,10,11).
What are the key properties of 2,6-diazaspiro[3.4]octane-7-carboxylic acid?
2,6-diazaspiro[3.4]octane-7-carboxylic acid has a molecular weight of 156.19 g/mol, XLogP of -0.98, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-diazaspiro[3.4]octane-7-carboxylic acid is sourced from PubChem (CID 165458055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).