10-oxo-9-azabicyclo[3.3.2]decane-3-carboxylic acid

C10H15NO3 — CID 102547780

IUPAC10-oxo-9-azabicyclo[3.3.2]decane-3-carboxylic acid
SMILESO=C(O)C1CC2CCCC(C1)C(=O)N2
InChIInChI=1S/C10H15NO3/c12-9-6-2-1-3-8(11-9)5-7(4-6)10(13)14/h6-8H,1-5H2,(H,11,12)(H,13,14)
InChIKeyBCWBCPVTLOQGTO-UHFFFAOYSA-N
MW197.23 g/mol
LogP0.77
Rot. Bonds1

About 10-oxo-9-azabicyclo[3.3.2]decane-3-carboxylic acid

10-oxo-9-azabicyclo[3.3.2]decane-3-carboxylic acid (PubChem CID 102547780) has the molecular formula C10H15NO3 and a molecular weight of 197.23 g/mol. Its IUPAC name is 10-oxo-9-azabicyclo[3.3.2]decane-3-carboxylic acid.

Molecular Properties

Compound Name10-oxo-9-azabicyclo[3.3.2]decane-3-carboxylic acid
PubChem CID102547780
Molecular FormulaC10H15NO3
Molecular Weight197.23 g/mol
Exact Mass197.11
IUPAC Name10-oxo-9-azabicyclo[3.3.2]decane-3-carboxylic acid
SMILESO=C(O)C1CC2CCCC(C1)C(=O)N2
InChIInChI=1S/C10H15NO3/c12-9-6-2-1-3-8(11-9)5-7(4-6)10(13)14/h6-8H,1-5H2,(H,11,12)(H,13,14)
InChIKeyBCWBCPVTLOQGTO-UHFFFAOYSA-N
XLogP0.77
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.23
LogP ≤ 50.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 10-oxo-9-azabicyclo[3.3.2]decane-3-carboxylic acid?
The IUPAC name of 10-oxo-9-azabicyclo[3.3.2]decane-3-carboxylic acid (CID 102547780) is 10-oxo-9-azabicyclo[3.3.2]decane-3-carboxylic acid.
What is the SMILES notation for 10-oxo-9-azabicyclo[3.3.2]decane-3-carboxylic acid?
The canonical SMILES for 10-oxo-9-azabicyclo[3.3.2]decane-3-carboxylic acid is O=C(O)C1CC2CCCC(C1)C(=O)N2.
What is the InChIKey of 10-oxo-9-azabicyclo[3.3.2]decane-3-carboxylic acid?
The InChIKey is BCWBCPVTLOQGTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NO3/c12-9-6-2-1-3-8(11-9)5-7(4-6)10(13)14/h6-8H,1-5H2,(H,11,12)(H,13,14).
What are the key properties of 10-oxo-9-azabicyclo[3.3.2]decane-3-carboxylic acid?
10-oxo-9-azabicyclo[3.3.2]decane-3-carboxylic acid has a molecular weight of 197.23 g/mol, XLogP of 0.77, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 10-oxo-9-azabicyclo[3.3.2]decane-3-carboxylic acid is sourced from PubChem (CID 102547780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).