3-aminotricyclo[4.3.1.13,8]undecane-4-carboxylic acid

C12H19NO2 — CID 23009313

IUPAC3-aminotricyclo[4.3.1.13,8]undecane-4-carboxylic acid
SMILESNC12CC3CC(CC(C3)C1)CC2C(=O)O
InChIInChI=1S/C12H19NO2/c13-12-5-8-1-7(2-9(3-8)6-12)4-10(12)11(14)15/h7-10H,1-6,13H2,(H,14,15)
InChIKeyIORFAFWKSUBRSA-UHFFFAOYSA-N
MW209.29 g/mol
LogP1.61
Rot. Bonds1

About 3-aminotricyclo[4.3.1.13,8]undecane-4-carboxylic acid

3-aminotricyclo[4.3.1.13,8]undecane-4-carboxylic acid (PubChem CID 23009313) has the molecular formula C12H19NO2 and a molecular weight of 209.29 g/mol. Its IUPAC name is 3-aminotricyclo[4.3.1.13,8]undecane-4-carboxylic acid.

Molecular Properties

Compound Name3-aminotricyclo[4.3.1.13,8]undecane-4-carboxylic acid
PubChem CID23009313
Molecular FormulaC12H19NO2
Molecular Weight209.29 g/mol
Exact Mass209.14
IUPAC Name3-aminotricyclo[4.3.1.13,8]undecane-4-carboxylic acid
SMILESNC12CC3CC(CC(C3)C1)CC2C(=O)O
InChIInChI=1S/C12H19NO2/c13-12-5-8-1-7(2-9(3-8)6-12)4-10(12)11(14)15/h7-10H,1-6,13H2,(H,14,15)
InChIKeyIORFAFWKSUBRSA-UHFFFAOYSA-N
XLogP1.61
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.29
LogP ≤ 51.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-aminotricyclo[4.3.1.13,8]undecane-4-carboxylic acid?
The IUPAC name of 3-aminotricyclo[4.3.1.13,8]undecane-4-carboxylic acid (CID 23009313) is 3-aminotricyclo[4.3.1.13,8]undecane-4-carboxylic acid.
What is the SMILES notation for 3-aminotricyclo[4.3.1.13,8]undecane-4-carboxylic acid?
The canonical SMILES for 3-aminotricyclo[4.3.1.13,8]undecane-4-carboxylic acid is NC12CC3CC(CC(C3)C1)CC2C(=O)O.
What is the InChIKey of 3-aminotricyclo[4.3.1.13,8]undecane-4-carboxylic acid?
The InChIKey is IORFAFWKSUBRSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NO2/c13-12-5-8-1-7(2-9(3-8)6-12)4-10(12)11(14)15/h7-10H,1-6,13H2,(H,14,15).
What are the key properties of 3-aminotricyclo[4.3.1.13,8]undecane-4-carboxylic acid?
3-aminotricyclo[4.3.1.13,8]undecane-4-carboxylic acid has a molecular weight of 209.29 g/mol, XLogP of 1.61, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-aminotricyclo[4.3.1.13,8]undecane-4-carboxylic acid is sourced from PubChem (CID 23009313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).