6-phosphanyl-6-azaspiro[2.5]octane-2-carboxylic acid

C8H14NO2P — CID 59395230

IUPAC6-phosphanyl-6-azaspiro[2.5]octane-2-carboxylic acid
SMILESO=C(O)C1CC12CCN(P)CC2
InChIInChI=1S/C8H14NO2P/c10-7(11)6-5-8(6)1-3-9(12)4-2-8/h6H,1-5,12H2,(H,10,11)
InChIKeyHNYGPGBAIOHMND-UHFFFAOYSA-N
MW187.18 g/mol
LogP0.96
Rot. Bonds1

About 6-phosphanyl-6-azaspiro[2.5]octane-2-carboxylic acid

6-phosphanyl-6-azaspiro[2.5]octane-2-carboxylic acid (PubChem CID 59395230) has the molecular formula C8H14NO2P and a molecular weight of 187.18 g/mol. Its IUPAC name is 6-phosphanyl-6-azaspiro[2.5]octane-2-carboxylic acid.

Molecular Properties

Compound Name6-phosphanyl-6-azaspiro[2.5]octane-2-carboxylic acid
PubChem CID59395230
Molecular FormulaC8H14NO2P
Molecular Weight187.18 g/mol
Exact Mass187.08
IUPAC Name6-phosphanyl-6-azaspiro[2.5]octane-2-carboxylic acid
SMILESO=C(O)C1CC12CCN(P)CC2
InChIInChI=1S/C8H14NO2P/c10-7(11)6-5-8(6)1-3-9(12)4-2-8/h6H,1-5,12H2,(H,10,11)
InChIKeyHNYGPGBAIOHMND-UHFFFAOYSA-N
XLogP0.96
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.18
LogP ≤ 50.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phosphor', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-phosphanyl-6-azaspiro[2.5]octane-2-carboxylic acid?
The IUPAC name of 6-phosphanyl-6-azaspiro[2.5]octane-2-carboxylic acid (CID 59395230) is 6-phosphanyl-6-azaspiro[2.5]octane-2-carboxylic acid.
What is the SMILES notation for 6-phosphanyl-6-azaspiro[2.5]octane-2-carboxylic acid?
The canonical SMILES for 6-phosphanyl-6-azaspiro[2.5]octane-2-carboxylic acid is O=C(O)C1CC12CCN(P)CC2.
What is the InChIKey of 6-phosphanyl-6-azaspiro[2.5]octane-2-carboxylic acid?
The InChIKey is HNYGPGBAIOHMND-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14NO2P/c10-7(11)6-5-8(6)1-3-9(12)4-2-8/h6H,1-5,12H2,(H,10,11).
What are the key properties of 6-phosphanyl-6-azaspiro[2.5]octane-2-carboxylic acid?
6-phosphanyl-6-azaspiro[2.5]octane-2-carboxylic acid has a molecular weight of 187.18 g/mol, XLogP of 0.96, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-phosphanyl-6-azaspiro[2.5]octane-2-carboxylic acid is sourced from PubChem (CID 59395230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).