2-(aminomethyl)-3-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-2-cyclopropylpropanoic acid

C15H19NO2 — CID 106489750

IUPAC2-(aminomethyl)-3-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-2-cyclopropylpropanoic acid
SMILESNCC(CC1Cc2ccccc21)(C(=O)O)C1CC1
InChIInChI=1S/C15H19NO2/c16-9-15(14(17)18,12-5-6-12)8-11-7-10-3-1-2-4-13(10)11/h1-4,11-12H,5-9,16H2,(H,17,18)
InChIKeyXSALPEYTEXLUPJ-UHFFFAOYSA-N
MW245.32 g/mol
LogP2.16
Rot. Bonds5

About 2-(aminomethyl)-3-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-2-cyclopropylpropanoic acid

2-(aminomethyl)-3-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-2-cyclopropylpropanoic acid (PubChem CID 106489750) has the molecular formula C15H19NO2 and a molecular weight of 245.32 g/mol. Its IUPAC name is 2-(aminomethyl)-3-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-2-cyclopropylpropanoic acid.

Molecular Properties

Compound Name2-(aminomethyl)-3-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-2-cyclopropylpropanoic acid
PubChem CID106489750
Molecular FormulaC15H19NO2
Molecular Weight245.32 g/mol
Exact Mass245.14
IUPAC Name2-(aminomethyl)-3-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-2-cyclopropylpropanoic acid
SMILESNCC(CC1Cc2ccccc21)(C(=O)O)C1CC1
InChIInChI=1S/C15H19NO2/c16-9-15(14(17)18,12-5-6-12)8-11-7-10-3-1-2-4-13(10)11/h1-4,11-12H,5-9,16H2,(H,17,18)
InChIKeyXSALPEYTEXLUPJ-UHFFFAOYSA-N
XLogP2.16
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.32
LogP ≤ 52.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-3-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-2-cyclopropylpropanoic acid?
The IUPAC name of 2-(aminomethyl)-3-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-2-cyclopropylpropanoic acid (CID 106489750) is 2-(aminomethyl)-3-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-2-cyclopropylpropanoic acid.
What is the SMILES notation for 2-(aminomethyl)-3-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-2-cyclopropylpropanoic acid?
The canonical SMILES for 2-(aminomethyl)-3-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-2-cyclopropylpropanoic acid is NCC(CC1Cc2ccccc21)(C(=O)O)C1CC1.
What is the InChIKey of 2-(aminomethyl)-3-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-2-cyclopropylpropanoic acid?
The InChIKey is XSALPEYTEXLUPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NO2/c16-9-15(14(17)18,12-5-6-12)8-11-7-10-3-1-2-4-13(10)11/h1-4,11-12H,5-9,16H2,(H,17,18).
What are the key properties of 2-(aminomethyl)-3-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-2-cyclopropylpropanoic acid?
2-(aminomethyl)-3-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-2-cyclopropylpropanoic acid has a molecular weight of 245.32 g/mol, XLogP of 2.16, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-3-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-2-cyclopropylpropanoic acid is sourced from PubChem (CID 106489750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).