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

C14H21NO2 — CID 134355868

IUPAC2-[2-(aminomethyl)-7-ethenyl-2-tricyclo[4.2.1.03,8]nonanyl]acetic acid
SMILESC=CC1C2CCC3C1C(C2)C3(CN)CC(=O)O
InChIInChI=1S/C14H21NO2/c1-2-9-8-3-4-10-13(9)11(5-8)14(10,7-15)6-12(16)17/h2,8-11,13H,1,3-7,15H2,(H,16,17)
InChIKeyJVXPQFYTNCLKTQ-UHFFFAOYSA-N
MW235.33 g/mol
LogP1.88
Rot. Bonds4

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

2-[2-(aminomethyl)-7-ethenyl-2-tricyclo[4.2.1.03,8]nonanyl]acetic acid (PubChem CID 134355868) has the molecular formula C14H21NO2 and a molecular weight of 235.33 g/mol. Its IUPAC name is 2-[2-(aminomethyl)-7-ethenyl-2-tricyclo[4.2.1.03,8]nonanyl]acetic acid.

Molecular Properties

Compound Name2-[2-(aminomethyl)-7-ethenyl-2-tricyclo[4.2.1.03,8]nonanyl]acetic acid
PubChem CID134355868
Molecular FormulaC14H21NO2
Molecular Weight235.33 g/mol
Exact Mass235.16
IUPAC Name2-[2-(aminomethyl)-7-ethenyl-2-tricyclo[4.2.1.03,8]nonanyl]acetic acid
SMILESC=CC1C2CCC3C1C(C2)C3(CN)CC(=O)O
InChIInChI=1S/C14H21NO2/c1-2-9-8-3-4-10-13(9)11(5-8)14(10,7-15)6-12(16)17/h2,8-11,13H,1,3-7,15H2,(H,16,17)
InChIKeyJVXPQFYTNCLKTQ-UHFFFAOYSA-N
XLogP1.88
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.33
LogP ≤ 51.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(aminomethyl)-7-ethenyl-2-tricyclo[4.2.1.03,8]nonanyl]acetic acid?
The IUPAC name of 2-[2-(aminomethyl)-7-ethenyl-2-tricyclo[4.2.1.03,8]nonanyl]acetic acid (CID 134355868) is 2-[2-(aminomethyl)-7-ethenyl-2-tricyclo[4.2.1.03,8]nonanyl]acetic acid.
What is the SMILES notation for 2-[2-(aminomethyl)-7-ethenyl-2-tricyclo[4.2.1.03,8]nonanyl]acetic acid?
The canonical SMILES for 2-[2-(aminomethyl)-7-ethenyl-2-tricyclo[4.2.1.03,8]nonanyl]acetic acid is C=CC1C2CCC3C1C(C2)C3(CN)CC(=O)O.
What is the InChIKey of 2-[2-(aminomethyl)-7-ethenyl-2-tricyclo[4.2.1.03,8]nonanyl]acetic acid?
The InChIKey is JVXPQFYTNCLKTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO2/c1-2-9-8-3-4-10-13(9)11(5-8)14(10,7-15)6-12(16)17/h2,8-11,13H,1,3-7,15H2,(H,16,17).
What are the key properties of 2-[2-(aminomethyl)-7-ethenyl-2-tricyclo[4.2.1.03,8]nonanyl]acetic acid?
2-[2-(aminomethyl)-7-ethenyl-2-tricyclo[4.2.1.03,8]nonanyl]acetic acid has a molecular weight of 235.33 g/mol, XLogP of 1.88, 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-ethenyl-2-tricyclo[4.2.1.03,8]nonanyl]acetic acid is sourced from PubChem (CID 134355868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).