2-[2-(aminomethyl)-7-(1-fluoroethyl)-2-tricyclo[4.2.1.03,8]nonanyl]acetic acid

C14H22FNO2 — CID 134355854

IUPAC2-[2-(aminomethyl)-7-(1-fluoroethyl)-2-tricyclo[4.2.1.03,8]nonanyl]acetic acid
SMILESCC(F)C1C2CCC3C1C(C2)C3(CN)CC(=O)O
InChIInChI=1S/C14H22FNO2/c1-7(15)12-8-2-3-9-13(12)10(4-8)14(9,6-16)5-11(17)18/h7-10,12-13H,2-6,16H2,1H3,(H,17,18)
InChIKeyWMKNKNNYJRHZJB-UHFFFAOYSA-N
MW255.33 g/mol
LogP2.06
Rot. Bonds4

About 2-[2-(aminomethyl)-7-(1-fluoroethyl)-2-tricyclo[4.2.1.03,8]nonanyl]acetic acid

2-[2-(aminomethyl)-7-(1-fluoroethyl)-2-tricyclo[4.2.1.03,8]nonanyl]acetic acid (PubChem CID 134355854) has the molecular formula C14H22FNO2 and a molecular weight of 255.33 g/mol. Its IUPAC name is 2-[2-(aminomethyl)-7-(1-fluoroethyl)-2-tricyclo[4.2.1.03,8]nonanyl]acetic acid.

Molecular Properties

Compound Name2-[2-(aminomethyl)-7-(1-fluoroethyl)-2-tricyclo[4.2.1.03,8]nonanyl]acetic acid
PubChem CID134355854
Molecular FormulaC14H22FNO2
Molecular Weight255.33 g/mol
Exact Mass255.16
IUPAC Name2-[2-(aminomethyl)-7-(1-fluoroethyl)-2-tricyclo[4.2.1.03,8]nonanyl]acetic acid
SMILESCC(F)C1C2CCC3C1C(C2)C3(CN)CC(=O)O
InChIInChI=1S/C14H22FNO2/c1-7(15)12-8-2-3-9-13(12)10(4-8)14(9,6-16)5-11(17)18/h7-10,12-13H,2-6,16H2,1H3,(H,17,18)
InChIKeyWMKNKNNYJRHZJB-UHFFFAOYSA-N
XLogP2.06
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.33
LogP ≤ 52.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(aminomethyl)-7-(1-fluoroethyl)-2-tricyclo[4.2.1.03,8]nonanyl]acetic acid?
The IUPAC name of 2-[2-(aminomethyl)-7-(1-fluoroethyl)-2-tricyclo[4.2.1.03,8]nonanyl]acetic acid (CID 134355854) is 2-[2-(aminomethyl)-7-(1-fluoroethyl)-2-tricyclo[4.2.1.03,8]nonanyl]acetic acid.
What is the SMILES notation for 2-[2-(aminomethyl)-7-(1-fluoroethyl)-2-tricyclo[4.2.1.03,8]nonanyl]acetic acid?
The canonical SMILES for 2-[2-(aminomethyl)-7-(1-fluoroethyl)-2-tricyclo[4.2.1.03,8]nonanyl]acetic acid is CC(F)C1C2CCC3C1C(C2)C3(CN)CC(=O)O.
What is the InChIKey of 2-[2-(aminomethyl)-7-(1-fluoroethyl)-2-tricyclo[4.2.1.03,8]nonanyl]acetic acid?
The InChIKey is WMKNKNNYJRHZJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22FNO2/c1-7(15)12-8-2-3-9-13(12)10(4-8)14(9,6-16)5-11(17)18/h7-10,12-13H,2-6,16H2,1H3,(H,17,18).
What are the key properties of 2-[2-(aminomethyl)-7-(1-fluoroethyl)-2-tricyclo[4.2.1.03,8]nonanyl]acetic acid?
2-[2-(aminomethyl)-7-(1-fluoroethyl)-2-tricyclo[4.2.1.03,8]nonanyl]acetic acid has a molecular weight of 255.33 g/mol, XLogP of 2.06, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(aminomethyl)-7-(1-fluoroethyl)-2-tricyclo[4.2.1.03,8]nonanyl]acetic acid is sourced from PubChem (CID 134355854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).