potassium (11R)-2,10-dioxo-1-azabicyclo[9.3.0]tetradecane-11-carboxylate

C14H20KNO4 — CID 69338045

IUPACpotassium (11R)-2,10-dioxo-1-azabicyclo[9.3.0]tetradecane-11-carboxylate
SMILESO=C1CCCCCCCC(=O)[C@@]2(C(=O)[O-])CCCN12.[K+]
InChIInChI=1S/C14H21NO4.K/c16-11-7-4-2-1-3-5-8-12(17)15-10-6-9-14(11,15)13(18)19;/h1-10H2,(H,18,19);/q;+1/p-1/t14-;/m1./s1
InChIKeyXFXSCNKQACINIE-PFEQFJNWSA-M
MW305.42 g/mol
LogP-2.59
Rot. Bonds1

About potassium (11R)-2,10-dioxo-1-azabicyclo[9.3.0]tetradecane-11-carboxylate

potassium (11R)-2,10-dioxo-1-azabicyclo[9.3.0]tetradecane-11-carboxylate (PubChem CID 69338045) has the molecular formula C14H20KNO4 and a molecular weight of 305.42 g/mol. Its IUPAC name is potassium (11R)-2,10-dioxo-1-azabicyclo[9.3.0]tetradecane-11-carboxylate.

Molecular Properties

Compound Namepotassium (11R)-2,10-dioxo-1-azabicyclo[9.3.0]tetradecane-11-carboxylate
PubChem CID69338045
Molecular FormulaC14H20KNO4
Molecular Weight305.42 g/mol
Exact Mass305.10
IUPAC Namepotassium (11R)-2,10-dioxo-1-azabicyclo[9.3.0]tetradecane-11-carboxylate
SMILESO=C1CCCCCCCC(=O)[C@@]2(C(=O)[O-])CCCN12.[K+]
InChIInChI=1S/C14H21NO4.K/c16-11-7-4-2-1-3-5-8-12(17)15-10-6-9-14(11,15)13(18)19;/h1-10H2,(H,18,19);/q;+1/p-1/t14-;/m1./s1
InChIKeyXFXSCNKQACINIE-PFEQFJNWSA-M
XLogP-2.59
TPSA77.51 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.42
LogP ≤ 5-2.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of potassium (11R)-2,10-dioxo-1-azabicyclo[9.3.0]tetradecane-11-carboxylate?
The IUPAC name of potassium (11R)-2,10-dioxo-1-azabicyclo[9.3.0]tetradecane-11-carboxylate (CID 69338045) is potassium (11R)-2,10-dioxo-1-azabicyclo[9.3.0]tetradecane-11-carboxylate.
What is the SMILES notation for potassium (11R)-2,10-dioxo-1-azabicyclo[9.3.0]tetradecane-11-carboxylate?
The canonical SMILES for potassium (11R)-2,10-dioxo-1-azabicyclo[9.3.0]tetradecane-11-carboxylate is O=C1CCCCCCCC(=O)[C@@]2(C(=O)[O-])CCCN12.[K+].
What is the InChIKey of potassium (11R)-2,10-dioxo-1-azabicyclo[9.3.0]tetradecane-11-carboxylate?
The InChIKey is XFXSCNKQACINIE-PFEQFJNWSA-M. The full InChI is InChI=1S/C14H21NO4.K/c16-11-7-4-2-1-3-5-8-12(17)15-10-6-9-14(11,15)13(18)19;/h1-10H2,(H,18,19);/q;+1/p-1/t14-;/m1./s1.
What are the key properties of potassium (11R)-2,10-dioxo-1-azabicyclo[9.3.0]tetradecane-11-carboxylate?
potassium (11R)-2,10-dioxo-1-azabicyclo[9.3.0]tetradecane-11-carboxylate has a molecular weight of 305.42 g/mol, XLogP of -2.59, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for potassium (11R)-2,10-dioxo-1-azabicyclo[9.3.0]tetradecane-11-carboxylate is sourced from PubChem (CID 69338045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).