1-(aminomethyl)-2-[2-(3-fluorophenyl)ethyl]cyclopropane-1-carboxylic acid

C13H16FNO2 — CID 22182720

IUPAC1-(aminomethyl)-2-[2-(3-fluorophenyl)ethyl]cyclopropane-1-carboxylic acid
SMILESNCC1(C(=O)O)CC1CCc1cccc(F)c1
InChIInChI=1S/C13H16FNO2/c14-11-3-1-2-9(6-11)4-5-10-7-13(10,8-15)12(16)17/h1-3,6,10H,4-5,7-8,15H2,(H,16,17)
InChIKeyZJSNZTDQXKYJRZ-UHFFFAOYSA-N
MW237.27 g/mol
LogP1.81
Rot. Bonds5

About 1-(aminomethyl)-2-[2-(3-fluorophenyl)ethyl]cyclopropane-1-carboxylic acid

1-(aminomethyl)-2-[2-(3-fluorophenyl)ethyl]cyclopropane-1-carboxylic acid (PubChem CID 22182720) has the molecular formula C13H16FNO2 and a molecular weight of 237.27 g/mol. Its IUPAC name is 1-(aminomethyl)-2-[2-(3-fluorophenyl)ethyl]cyclopropane-1-carboxylic acid.

Molecular Properties

Compound Name1-(aminomethyl)-2-[2-(3-fluorophenyl)ethyl]cyclopropane-1-carboxylic acid
PubChem CID22182720
Molecular FormulaC13H16FNO2
Molecular Weight237.27 g/mol
Exact Mass237.12
IUPAC Name1-(aminomethyl)-2-[2-(3-fluorophenyl)ethyl]cyclopropane-1-carboxylic acid
SMILESNCC1(C(=O)O)CC1CCc1cccc(F)c1
InChIInChI=1S/C13H16FNO2/c14-11-3-1-2-9(6-11)4-5-10-7-13(10,8-15)12(16)17/h1-3,6,10H,4-5,7-8,15H2,(H,16,17)
InChIKeyZJSNZTDQXKYJRZ-UHFFFAOYSA-N
XLogP1.81
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.27
LogP ≤ 51.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(aminomethyl)-2-[2-(3-fluorophenyl)ethyl]cyclopropane-1-carboxylic acid?
The IUPAC name of 1-(aminomethyl)-2-[2-(3-fluorophenyl)ethyl]cyclopropane-1-carboxylic acid (CID 22182720) is 1-(aminomethyl)-2-[2-(3-fluorophenyl)ethyl]cyclopropane-1-carboxylic acid.
What is the SMILES notation for 1-(aminomethyl)-2-[2-(3-fluorophenyl)ethyl]cyclopropane-1-carboxylic acid?
The canonical SMILES for 1-(aminomethyl)-2-[2-(3-fluorophenyl)ethyl]cyclopropane-1-carboxylic acid is NCC1(C(=O)O)CC1CCc1cccc(F)c1.
What is the InChIKey of 1-(aminomethyl)-2-[2-(3-fluorophenyl)ethyl]cyclopropane-1-carboxylic acid?
The InChIKey is ZJSNZTDQXKYJRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16FNO2/c14-11-3-1-2-9(6-11)4-5-10-7-13(10,8-15)12(16)17/h1-3,6,10H,4-5,7-8,15H2,(H,16,17).
What are the key properties of 1-(aminomethyl)-2-[2-(3-fluorophenyl)ethyl]cyclopropane-1-carboxylic acid?
1-(aminomethyl)-2-[2-(3-fluorophenyl)ethyl]cyclopropane-1-carboxylic acid has a molecular weight of 237.27 g/mol, XLogP of 1.81, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(aminomethyl)-2-[2-(3-fluorophenyl)ethyl]cyclopropane-1-carboxylic acid is sourced from PubChem (CID 22182720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).