5-oxa-2,8-diazaspiro[3.5]nonane-9-carboxylic acid

C7H12N2O3 — CID 162392934

IUPAC5-oxa-2,8-diazaspiro[3.5]nonane-9-carboxylic acid
SMILESO=C(O)C1NCCOC12CNC2
InChIInChI=1S/C7H12N2O3/c10-6(11)5-7(3-8-4-7)12-2-1-9-5/h5,8-9H,1-4H2,(H,10,11)
InChIKeyMLUKBODZTJDZHU-UHFFFAOYSA-N
MW172.18 g/mol
LogP-1.60
Rot. Bonds1

About 5-oxa-2,8-diazaspiro[3.5]nonane-9-carboxylic acid

5-oxa-2,8-diazaspiro[3.5]nonane-9-carboxylic acid (PubChem CID 162392934) has the molecular formula C7H12N2O3 and a molecular weight of 172.18 g/mol. Its IUPAC name is 5-oxa-2,8-diazaspiro[3.5]nonane-9-carboxylic acid.

Molecular Properties

Compound Name5-oxa-2,8-diazaspiro[3.5]nonane-9-carboxylic acid
PubChem CID162392934
Molecular FormulaC7H12N2O3
Molecular Weight172.18 g/mol
Exact Mass172.08
IUPAC Name5-oxa-2,8-diazaspiro[3.5]nonane-9-carboxylic acid
SMILESO=C(O)C1NCCOC12CNC2
InChIInChI=1S/C7H12N2O3/c10-6(11)5-7(3-8-4-7)12-2-1-9-5/h5,8-9H,1-4H2,(H,10,11)
InChIKeyMLUKBODZTJDZHU-UHFFFAOYSA-N
XLogP-1.60
TPSA70.59 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.18
LogP ≤ 5-1.60
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-oxa-2,8-diazaspiro[3.5]nonane-9-carboxylic acid?
The IUPAC name of 5-oxa-2,8-diazaspiro[3.5]nonane-9-carboxylic acid (CID 162392934) is 5-oxa-2,8-diazaspiro[3.5]nonane-9-carboxylic acid.
What is the SMILES notation for 5-oxa-2,8-diazaspiro[3.5]nonane-9-carboxylic acid?
The canonical SMILES for 5-oxa-2,8-diazaspiro[3.5]nonane-9-carboxylic acid is O=C(O)C1NCCOC12CNC2.
What is the InChIKey of 5-oxa-2,8-diazaspiro[3.5]nonane-9-carboxylic acid?
The InChIKey is MLUKBODZTJDZHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N2O3/c10-6(11)5-7(3-8-4-7)12-2-1-9-5/h5,8-9H,1-4H2,(H,10,11).
What are the key properties of 5-oxa-2,8-diazaspiro[3.5]nonane-9-carboxylic acid?
5-oxa-2,8-diazaspiro[3.5]nonane-9-carboxylic acid has a molecular weight of 172.18 g/mol, XLogP of -1.60, 1 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-oxa-2,8-diazaspiro[3.5]nonane-9-carboxylic acid is sourced from PubChem (CID 162392934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).