2-[2-(aminomethyl)-8-fluoro-7-methyl-2-tricyclo[4.2.1.03,8]nonanyl]acetic acid

C13H20FNO2 — CID 167169039

IUPAC2-[2-(aminomethyl)-8-fluoro-7-methyl-2-tricyclo[4.2.1.03,8]nonanyl]acetic acid
SMILESCC1C2CCC3C(CN)(CC(=O)O)C(C2)C13F
InChIInChI=1S/C13H20FNO2/c1-7-8-2-3-9-12(6-15,5-11(16)17)10(4-8)13(7,9)14/h7-10H,2-6,15H2,1H3,(H,16,17)
InChIKeyOBYYEYLECFLSAX-UHFFFAOYSA-N
MW241.31 g/mol
LogP1.81
Rot. Bonds3

About 2-[2-(aminomethyl)-8-fluoro-7-methyl-2-tricyclo[4.2.1.03,8]nonanyl]acetic acid

2-[2-(aminomethyl)-8-fluoro-7-methyl-2-tricyclo[4.2.1.03,8]nonanyl]acetic acid (PubChem CID 167169039) has the molecular formula C13H20FNO2 and a molecular weight of 241.31 g/mol. Its IUPAC name is 2-[2-(aminomethyl)-8-fluoro-7-methyl-2-tricyclo[4.2.1.03,8]nonanyl]acetic acid.

Molecular Properties

Compound Name2-[2-(aminomethyl)-8-fluoro-7-methyl-2-tricyclo[4.2.1.03,8]nonanyl]acetic acid
PubChem CID167169039
Molecular FormulaC13H20FNO2
Molecular Weight241.31 g/mol
Exact Mass241.15
IUPAC Name2-[2-(aminomethyl)-8-fluoro-7-methyl-2-tricyclo[4.2.1.03,8]nonanyl]acetic acid
SMILESCC1C2CCC3C(CN)(CC(=O)O)C(C2)C13F
InChIInChI=1S/C13H20FNO2/c1-7-8-2-3-9-12(6-15,5-11(16)17)10(4-8)13(7,9)14/h7-10H,2-6,15H2,1H3,(H,16,17)
InChIKeyOBYYEYLECFLSAX-UHFFFAOYSA-N
XLogP1.81
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.31
LogP ≤ 51.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(aminomethyl)-8-fluoro-7-methyl-2-tricyclo[4.2.1.03,8]nonanyl]acetic acid?
The IUPAC name of 2-[2-(aminomethyl)-8-fluoro-7-methyl-2-tricyclo[4.2.1.03,8]nonanyl]acetic acid (CID 167169039) is 2-[2-(aminomethyl)-8-fluoro-7-methyl-2-tricyclo[4.2.1.03,8]nonanyl]acetic acid.
What is the SMILES notation for 2-[2-(aminomethyl)-8-fluoro-7-methyl-2-tricyclo[4.2.1.03,8]nonanyl]acetic acid?
The canonical SMILES for 2-[2-(aminomethyl)-8-fluoro-7-methyl-2-tricyclo[4.2.1.03,8]nonanyl]acetic acid is CC1C2CCC3C(CN)(CC(=O)O)C(C2)C13F.
What is the InChIKey of 2-[2-(aminomethyl)-8-fluoro-7-methyl-2-tricyclo[4.2.1.03,8]nonanyl]acetic acid?
The InChIKey is OBYYEYLECFLSAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20FNO2/c1-7-8-2-3-9-12(6-15,5-11(16)17)10(4-8)13(7,9)14/h7-10H,2-6,15H2,1H3,(H,16,17).
What are the key properties of 2-[2-(aminomethyl)-8-fluoro-7-methyl-2-tricyclo[4.2.1.03,8]nonanyl]acetic acid?
2-[2-(aminomethyl)-8-fluoro-7-methyl-2-tricyclo[4.2.1.03,8]nonanyl]acetic acid has a molecular weight of 241.31 g/mol, XLogP of 1.81, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(aminomethyl)-8-fluoro-7-methyl-2-tricyclo[4.2.1.03,8]nonanyl]acetic acid is sourced from PubChem (CID 167169039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).