(7-hydroxy-3-oxo-2-phosphanyl-2-azabicyclo[2.2.1]heptan-6-yl) acetate

C8H12NO4P — CID 166682510

IUPAC(7-hydroxy-3-oxo-2-phosphanyl-2-azabicyclo[2.2.1]heptan-6-yl) acetate
SMILESCC(=O)OC1CC2C(=O)N(P)C1C2O
InChIInChI=1S/C8H12NO4P/c1-3(10)13-5-2-4-7(11)6(5)9(14)8(4)12/h4-7,11H,2,14H2,1H3
InChIKeyGSRPOTVEBIHENM-UHFFFAOYSA-N
MW217.16 g/mol
LogP-0.70
Rot. Bonds1

About (7-hydroxy-3-oxo-2-phosphanyl-2-azabicyclo[2.2.1]heptan-6-yl) acetate

(7-hydroxy-3-oxo-2-phosphanyl-2-azabicyclo[2.2.1]heptan-6-yl) acetate (PubChem CID 166682510) has the molecular formula C8H12NO4P and a molecular weight of 217.16 g/mol. Its IUPAC name is (7-hydroxy-3-oxo-2-phosphanyl-2-azabicyclo[2.2.1]heptan-6-yl) acetate.

Molecular Properties

Compound Name(7-hydroxy-3-oxo-2-phosphanyl-2-azabicyclo[2.2.1]heptan-6-yl) acetate
PubChem CID166682510
Molecular FormulaC8H12NO4P
Molecular Weight217.16 g/mol
Exact Mass217.05
IUPAC Name(7-hydroxy-3-oxo-2-phosphanyl-2-azabicyclo[2.2.1]heptan-6-yl) acetate
SMILESCC(=O)OC1CC2C(=O)N(P)C1C2O
InChIInChI=1S/C8H12NO4P/c1-3(10)13-5-2-4-7(11)6(5)9(14)8(4)12/h4-7,11H,2,14H2,1H3
InChIKeyGSRPOTVEBIHENM-UHFFFAOYSA-N
XLogP-0.70
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.16
LogP ≤ 5-0.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (7-hydroxy-3-oxo-2-phosphanyl-2-azabicyclo[2.2.1]heptan-6-yl) acetate?
The IUPAC name of (7-hydroxy-3-oxo-2-phosphanyl-2-azabicyclo[2.2.1]heptan-6-yl) acetate (CID 166682510) is (7-hydroxy-3-oxo-2-phosphanyl-2-azabicyclo[2.2.1]heptan-6-yl) acetate.
What is the SMILES notation for (7-hydroxy-3-oxo-2-phosphanyl-2-azabicyclo[2.2.1]heptan-6-yl) acetate?
The canonical SMILES for (7-hydroxy-3-oxo-2-phosphanyl-2-azabicyclo[2.2.1]heptan-6-yl) acetate is CC(=O)OC1CC2C(=O)N(P)C1C2O.
What is the InChIKey of (7-hydroxy-3-oxo-2-phosphanyl-2-azabicyclo[2.2.1]heptan-6-yl) acetate?
The InChIKey is GSRPOTVEBIHENM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12NO4P/c1-3(10)13-5-2-4-7(11)6(5)9(14)8(4)12/h4-7,11H,2,14H2,1H3.
What are the key properties of (7-hydroxy-3-oxo-2-phosphanyl-2-azabicyclo[2.2.1]heptan-6-yl) acetate?
(7-hydroxy-3-oxo-2-phosphanyl-2-azabicyclo[2.2.1]heptan-6-yl) acetate has a molecular weight of 217.16 g/mol, XLogP of -0.70, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (7-hydroxy-3-oxo-2-phosphanyl-2-azabicyclo[2.2.1]heptan-6-yl) acetate is sourced from PubChem (CID 166682510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).