2-amino-1-[(2-fluorophenyl)methyl]bicyclo[2.2.1]heptane-2-carboxylic acid

C15H18FNO2 — CID 69327638

IUPAC2-amino-1-[(2-fluorophenyl)methyl]bicyclo[2.2.1]heptane-2-carboxylic acid
SMILESNC1(C(=O)O)CC2CCC1(Cc1ccccc1F)C2
InChIInChI=1S/C15H18FNO2/c16-12-4-2-1-3-11(12)9-14-6-5-10(7-14)8-15(14,17)13(18)19/h1-4,10H,5-9,17H2,(H,18,19)
InChIKeyWGYGFLHGKGILBQ-UHFFFAOYSA-N
MW263.31 g/mol
LogP2.34
Rot. Bonds3

About 2-amino-1-[(2-fluorophenyl)methyl]bicyclo[2.2.1]heptane-2-carboxylic acid

2-amino-1-[(2-fluorophenyl)methyl]bicyclo[2.2.1]heptane-2-carboxylic acid (PubChem CID 69327638) has the molecular formula C15H18FNO2 and a molecular weight of 263.31 g/mol. Its IUPAC name is 2-amino-1-[(2-fluorophenyl)methyl]bicyclo[2.2.1]heptane-2-carboxylic acid.

Molecular Properties

Compound Name2-amino-1-[(2-fluorophenyl)methyl]bicyclo[2.2.1]heptane-2-carboxylic acid
PubChem CID69327638
Molecular FormulaC15H18FNO2
Molecular Weight263.31 g/mol
Exact Mass263.13
IUPAC Name2-amino-1-[(2-fluorophenyl)methyl]bicyclo[2.2.1]heptane-2-carboxylic acid
SMILESNC1(C(=O)O)CC2CCC1(Cc1ccccc1F)C2
InChIInChI=1S/C15H18FNO2/c16-12-4-2-1-3-11(12)9-14-6-5-10(7-14)8-15(14,17)13(18)19/h1-4,10H,5-9,17H2,(H,18,19)
InChIKeyWGYGFLHGKGILBQ-UHFFFAOYSA-N
XLogP2.34
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.31
LogP ≤ 52.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-amino-1-[(2-fluorophenyl)methyl]bicyclo[2.2.1]heptane-2-carboxylic acid?
The IUPAC name of 2-amino-1-[(2-fluorophenyl)methyl]bicyclo[2.2.1]heptane-2-carboxylic acid (CID 69327638) is 2-amino-1-[(2-fluorophenyl)methyl]bicyclo[2.2.1]heptane-2-carboxylic acid.
What is the SMILES notation for 2-amino-1-[(2-fluorophenyl)methyl]bicyclo[2.2.1]heptane-2-carboxylic acid?
The canonical SMILES for 2-amino-1-[(2-fluorophenyl)methyl]bicyclo[2.2.1]heptane-2-carboxylic acid is NC1(C(=O)O)CC2CCC1(Cc1ccccc1F)C2.
What is the InChIKey of 2-amino-1-[(2-fluorophenyl)methyl]bicyclo[2.2.1]heptane-2-carboxylic acid?
The InChIKey is WGYGFLHGKGILBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18FNO2/c16-12-4-2-1-3-11(12)9-14-6-5-10(7-14)8-15(14,17)13(18)19/h1-4,10H,5-9,17H2,(H,18,19).
What are the key properties of 2-amino-1-[(2-fluorophenyl)methyl]bicyclo[2.2.1]heptane-2-carboxylic acid?
2-amino-1-[(2-fluorophenyl)methyl]bicyclo[2.2.1]heptane-2-carboxylic acid has a molecular weight of 263.31 g/mol, XLogP of 2.34, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1-[(2-fluorophenyl)methyl]bicyclo[2.2.1]heptane-2-carboxylic acid is sourced from PubChem (CID 69327638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).