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

C13H16FNO2 — CID 117042808

IUPAC2-[2-(2-fluorophenyl)ethyl-methylamino]cyclopropane-1-carboxylic acid
SMILESCN(CCc1ccccc1F)C1CC1C(=O)O
InChIInChI=1S/C13H16FNO2/c1-15(12-8-10(12)13(16)17)7-6-9-4-2-3-5-11(9)14/h2-5,10,12H,6-8H2,1H3,(H,16,17)
InChIKeyAMCAWHKTPKNULD-UHFFFAOYSA-N
MW237.27 g/mol
LogP1.77
Rot. Bonds5

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

2-[2-(2-fluorophenyl)ethyl-methylamino]cyclopropane-1-carboxylic acid (PubChem CID 117042808) has the molecular formula C13H16FNO2 and a molecular weight of 237.27 g/mol. Its IUPAC name is 2-[2-(2-fluorophenyl)ethyl-methylamino]cyclopropane-1-carboxylic acid.

Molecular Properties

Compound Name2-[2-(2-fluorophenyl)ethyl-methylamino]cyclopropane-1-carboxylic acid
PubChem CID117042808
Molecular FormulaC13H16FNO2
Molecular Weight237.27 g/mol
Exact Mass237.12
IUPAC Name2-[2-(2-fluorophenyl)ethyl-methylamino]cyclopropane-1-carboxylic acid
SMILESCN(CCc1ccccc1F)C1CC1C(=O)O
InChIInChI=1S/C13H16FNO2/c1-15(12-8-10(12)13(16)17)7-6-9-4-2-3-5-11(9)14/h2-5,10,12H,6-8H2,1H3,(H,16,17)
InChIKeyAMCAWHKTPKNULD-UHFFFAOYSA-N
XLogP1.77
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.27
LogP ≤ 51.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2-fluoro-N-methylanilino)cyclopropane-1-carboxylic acid
CID 117042623
2-[2-(4-ethylphenyl)ethyl-methylamino]cyclopropane-1-carboxylic acid
CID 117042769
3-[2-(2-fluorophenyl)ethyl-methylamino]propanoic acid
CID 94259708
2-[2-(2-methoxy-5-methylphenyl)ethyl-methylamino]cyclopropane-1-carboxylic acid
CID 117042779
2-[2-(2-fluorophenyl)ethyl-methylamino]-2-methylpropanoic acid
CID 115128165
2-[2-(2-fluorophenyl)ethylcarbamoyl]cyclobutane-1-carboxylic acid
CID 120974497
5-[2-(2-fluorophenyl)ethyl-methylamino]-5-oxopentanoic acid
CID 94695505
2-[(2-fluorophenyl)methyl-methylsulfamoyl]cyclopentane-1-carboxylic acid
CID 103342452
trans-(1S,3S)-3-[(2-fluorophenyl)methyl-methylcarbamoyl]cyclohexane-1-carboxylic acid
CID 124557491
1-N-[2-(dimethylamino)ethyl]-2-N-[2-(2-fluorophenyl)ethyl]cyclopropane-1,2-dicarboxamide
CID 109133659
4-[[(2-fluorophenyl)methyl-methylcarbamoyl]amino]oxolane-3-carboxylic acid
CID 66238951
2-[(4-fluorophenyl)methyl-methylamino]cyclopropane-1-carboxylic acid
CID 117042665

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2-fluorophenyl)ethyl-methylamino]cyclopropane-1-carboxylic acid?
The IUPAC name of 2-[2-(2-fluorophenyl)ethyl-methylamino]cyclopropane-1-carboxylic acid (CID 117042808) is 2-[2-(2-fluorophenyl)ethyl-methylamino]cyclopropane-1-carboxylic acid.
What is the SMILES notation for 2-[2-(2-fluorophenyl)ethyl-methylamino]cyclopropane-1-carboxylic acid?
The canonical SMILES for 2-[2-(2-fluorophenyl)ethyl-methylamino]cyclopropane-1-carboxylic acid is CN(CCc1ccccc1F)C1CC1C(=O)O.
What is the InChIKey of 2-[2-(2-fluorophenyl)ethyl-methylamino]cyclopropane-1-carboxylic acid?
The InChIKey is AMCAWHKTPKNULD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16FNO2/c1-15(12-8-10(12)13(16)17)7-6-9-4-2-3-5-11(9)14/h2-5,10,12H,6-8H2,1H3,(H,16,17).
What are the key properties of 2-[2-(2-fluorophenyl)ethyl-methylamino]cyclopropane-1-carboxylic acid?
2-[2-(2-fluorophenyl)ethyl-methylamino]cyclopropane-1-carboxylic acid has a molecular weight of 237.27 g/mol, XLogP of 1.77, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2-fluorophenyl)ethyl-methylamino]cyclopropane-1-carboxylic acid is sourced from PubChem (CID 117042808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).