2-[2-(aminomethyl)-6-fluoro-2-tricyclo[4.2.1.03,8]nonanyl]acetic acid

C12H18FNO2 — CID 134355859

IUPAC2-[2-(aminomethyl)-6-fluoro-2-tricyclo[4.2.1.03,8]nonanyl]acetic acid
SMILESNCC1(CC(=O)O)C2CCC3(F)CC2C1C3
InChIInChI=1S/C12H18FNO2/c13-11-2-1-8-7(3-11)9(4-11)12(8,6-14)5-10(15)16/h7-9H,1-6,14H2,(H,15,16)
InChIKeyQPQIWPVFMYYMEC-UHFFFAOYSA-N
MW227.28 g/mol
LogP1.56
Rot. Bonds3

About 2-[2-(aminomethyl)-6-fluoro-2-tricyclo[4.2.1.03,8]nonanyl]acetic acid

2-[2-(aminomethyl)-6-fluoro-2-tricyclo[4.2.1.03,8]nonanyl]acetic acid (PubChem CID 134355859) has the molecular formula C12H18FNO2 and a molecular weight of 227.28 g/mol. Its IUPAC name is 2-[2-(aminomethyl)-6-fluoro-2-tricyclo[4.2.1.03,8]nonanyl]acetic acid.

Molecular Properties

Compound Name2-[2-(aminomethyl)-6-fluoro-2-tricyclo[4.2.1.03,8]nonanyl]acetic acid
PubChem CID134355859
Molecular FormulaC12H18FNO2
Molecular Weight227.28 g/mol
Exact Mass227.13
IUPAC Name2-[2-(aminomethyl)-6-fluoro-2-tricyclo[4.2.1.03,8]nonanyl]acetic acid
SMILESNCC1(CC(=O)O)C2CCC3(F)CC2C1C3
InChIInChI=1S/C12H18FNO2/c13-11-2-1-8-7(3-11)9(4-11)12(8,6-14)5-10(15)16/h7-9H,1-6,14H2,(H,15,16)
InChIKeyQPQIWPVFMYYMEC-UHFFFAOYSA-N
XLogP1.56
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.28
LogP ≤ 51.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-[2-(aminomethyl)-6-fluoro-7-methyl-2-tricyclo[4.2.1.03,8]nonanyl]acetic acid
CID 134355861
2-[11-(aminomethyl)-11-bicyclo[4.4.1]undecanyl]acetic acid
CID 19361927
2-[2-(aminomethyl)-6-propan-2-yl-2-tricyclo[4.3.1.03,10]decanyl]acetic acid
CID 134356016
2-[(1R,2S,3S,10S)-2-(aminomethyl)-2-tricyclo[4.3.1.03,10]decanyl]acetic acid
CID 146300472
2-[(1R,2R,3S,6S,7S,8R)-2-(aminomethyl)-7-(trifluoromethyl)-2-tricyclo[4.2.1.03,8]nonanyl]acetic acid
CID 134355840
2-[2-(aminomethyl)-7-ethenyl-2-tricyclo[4.2.1.03,8]nonanyl]acetic acid
CID 134355868
2-[2-(aminomethyl)-7-methylidene-2-tricyclo[4.2.1.03,8]nonanyl]acetic acid
CID 134356007
2-[(1S,3S,6R)-3-(aminomethyl)-3-bicyclo[4.2.0]octanyl]acetic acid
CID 57438053
2-[(1R,2R,3S,7S,9R)-2-(aminomethyl)-9-methyl-2-tricyclo[5.2.1.03,9]decanyl]acetic acid
CID 167169007
2-[(1R,3S,7R,8S)-7-(aminomethyl)-3,8-dimethylspiro[bicyclo[4.2.0]octane-2,1'-cyclopropane]-7-yl]acetic acid
CID 149119324
2-[2-(aminomethyl)-7-ethyl-2-tricyclo[4.2.1.03,8]nonanyl]acetic acid
CID 134355878
2-[2-(aminomethyl)-7-(1-fluoroethyl)-2-tricyclo[4.2.1.03,8]nonanyl]acetic acid
CID 134355854

Frequently Asked Questions

What is the IUPAC name of 2-[2-(aminomethyl)-6-fluoro-2-tricyclo[4.2.1.03,8]nonanyl]acetic acid?
The IUPAC name of 2-[2-(aminomethyl)-6-fluoro-2-tricyclo[4.2.1.03,8]nonanyl]acetic acid (CID 134355859) is 2-[2-(aminomethyl)-6-fluoro-2-tricyclo[4.2.1.03,8]nonanyl]acetic acid.
What is the SMILES notation for 2-[2-(aminomethyl)-6-fluoro-2-tricyclo[4.2.1.03,8]nonanyl]acetic acid?
The canonical SMILES for 2-[2-(aminomethyl)-6-fluoro-2-tricyclo[4.2.1.03,8]nonanyl]acetic acid is NCC1(CC(=O)O)C2CCC3(F)CC2C1C3.
What is the InChIKey of 2-[2-(aminomethyl)-6-fluoro-2-tricyclo[4.2.1.03,8]nonanyl]acetic acid?
The InChIKey is QPQIWPVFMYYMEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18FNO2/c13-11-2-1-8-7(3-11)9(4-11)12(8,6-14)5-10(15)16/h7-9H,1-6,14H2,(H,15,16).
What are the key properties of 2-[2-(aminomethyl)-6-fluoro-2-tricyclo[4.2.1.03,8]nonanyl]acetic acid?
2-[2-(aminomethyl)-6-fluoro-2-tricyclo[4.2.1.03,8]nonanyl]acetic acid has a molecular weight of 227.28 g/mol, XLogP of 1.56, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(aminomethyl)-6-fluoro-2-tricyclo[4.2.1.03,8]nonanyl]acetic acid is sourced from PubChem (CID 134355859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).