9,10-diazatricyclo[4.2.1.12,5]decane-9-carboxylic acid

C9H14N2O2 — CID 134263312

IUPAC9,10-diazatricyclo[4.2.1.12,5]decane-9-carboxylic acid
SMILESO=C(O)N1C2CCC1C1CCC2N1
InChIInChI=1S/C9H14N2O2/c12-9(13)11-7-3-4-8(11)6-2-1-5(7)10-6/h5-8,10H,1-4H2,(H,12,13)
InChIKeyHVMROQJHFHDZPY-UHFFFAOYSA-N
MW182.22 g/mol
LogP0.63
Rot. Bonds

About 9,10-diazatricyclo[4.2.1.12,5]decane-9-carboxylic acid

9,10-diazatricyclo[4.2.1.12,5]decane-9-carboxylic acid (PubChem CID 134263312) has the molecular formula C9H14N2O2 and a molecular weight of 182.22 g/mol. Its IUPAC name is 9,10-diazatricyclo[4.2.1.12,5]decane-9-carboxylic acid.

Molecular Properties

Compound Name9,10-diazatricyclo[4.2.1.12,5]decane-9-carboxylic acid
PubChem CID134263312
Molecular FormulaC9H14N2O2
Molecular Weight182.22 g/mol
Exact Mass182.11
IUPAC Name9,10-diazatricyclo[4.2.1.12,5]decane-9-carboxylic acid
SMILESO=C(O)N1C2CCC1C1CCC2N1
InChIInChI=1S/C9H14N2O2/c12-9(13)11-7-3-4-8(11)6-2-1-5(7)10-6/h5-8,10H,1-4H2,(H,12,13)
InChIKeyHVMROQJHFHDZPY-UHFFFAOYSA-N
XLogP0.63
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.22
LogP ≤ 50.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3,8-Diaza-bicyclo[3.2.1]octane-8-carboxylic acid
CID 22273351
3,8-Diazabicyclo[3.2.1]octane-3-carboxylic acid
CID 67019886
(1S,5R)-3,8-diazabicyclo[3.2.1]octane-8-carboxylic acid
CID 68538151
Tert-butyl 9,10-diazatricyclo[4.2.1.12,5]decane-9-carboxylate
CID 117642255
2,6-Diazabicyclo[3.2.2]nonane-2-carboxylic acid
CID 122516495
(1R,5S)-3,8-diazabicyclo[3.2.1]octane-3-carboxylic acid
CID 134326519
(5R)-3,8-diazabicyclo[3.2.1]octane-8-carboxylic acid
CID 146449062
3,8-Diazabicyclo[3.2.1]octane-3-carbonyloxidanium
CID 163699597
(1R,2R,5S)-2-methyl-3,8-diazabicyclo[3.2.1]octane-8-carboxylic acid
CID 174214042
(1S,5R)-2-methyl-3,8-diazabicyclo[3.2.1]octane-3-carboxylic acid
CID 174234447
2-Methyl-3,8-diazabicyclo[3.2.1]octane-8-carboxylic acid
CID 175801649
tert-butyl (1R,2R,5S,6S)-9,10-diazatricyclo[4.2.1.12,5]decane-9-carboxylate
CID 170910099

Frequently Asked Questions

What is the IUPAC name of 9,10-diazatricyclo[4.2.1.12,5]decane-9-carboxylic acid?
The IUPAC name of 9,10-diazatricyclo[4.2.1.12,5]decane-9-carboxylic acid (CID 134263312) is 9,10-diazatricyclo[4.2.1.12,5]decane-9-carboxylic acid.
What is the SMILES notation for 9,10-diazatricyclo[4.2.1.12,5]decane-9-carboxylic acid?
The canonical SMILES for 9,10-diazatricyclo[4.2.1.12,5]decane-9-carboxylic acid is O=C(O)N1C2CCC1C1CCC2N1.
What is the InChIKey of 9,10-diazatricyclo[4.2.1.12,5]decane-9-carboxylic acid?
The InChIKey is HVMROQJHFHDZPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2O2/c12-9(13)11-7-3-4-8(11)6-2-1-5(7)10-6/h5-8,10H,1-4H2,(H,12,13).
What are the key properties of 9,10-diazatricyclo[4.2.1.12,5]decane-9-carboxylic acid?
9,10-diazatricyclo[4.2.1.12,5]decane-9-carboxylic acid has a molecular weight of 182.22 g/mol, XLogP of 0.63, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9,10-diazatricyclo[4.2.1.12,5]decane-9-carboxylic acid is sourced from PubChem (CID 134263312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).