2-[2-(2-fluorophenyl)ethylcarbamoyl]cyclopropane-1-carboxylic acid

C13H14FNO3 — CID 60791079

IUPAC2-[2-(2-fluorophenyl)ethylcarbamoyl]cyclopropane-1-carboxylic acid
SMILESO=C(O)C1CC1C(=O)NCCc1ccccc1F
InChIInChI=1S/C13H14FNO3/c14-11-4-2-1-3-8(11)5-6-15-12(16)9-7-10(9)13(17)18/h1-4,9-10H,5-7H2,(H,15,16)(H,17,18)
InChIKeyFCOUTRJHHXQZGR-UHFFFAOYSA-N
MW251.26 g/mol
LogP1.21
Rot. Bonds5

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

2-[2-(2-fluorophenyl)ethylcarbamoyl]cyclopropane-1-carboxylic acid (PubChem CID 60791079) has the molecular formula C13H14FNO3 and a molecular weight of 251.26 g/mol. Its IUPAC name is 2-[2-(2-fluorophenyl)ethylcarbamoyl]cyclopropane-1-carboxylic acid.

Molecular Properties

Compound Name2-[2-(2-fluorophenyl)ethylcarbamoyl]cyclopropane-1-carboxylic acid
PubChem CID60791079
Molecular FormulaC13H14FNO3
Molecular Weight251.26 g/mol
Exact Mass251.10
IUPAC Name2-[2-(2-fluorophenyl)ethylcarbamoyl]cyclopropane-1-carboxylic acid
SMILESO=C(O)C1CC1C(=O)NCCc1ccccc1F
InChIInChI=1S/C13H14FNO3/c14-11-4-2-1-3-8(11)5-6-15-12(16)9-7-10(9)13(17)18/h1-4,9-10H,5-7H2,(H,15,16)(H,17,18)
InChIKeyFCOUTRJHHXQZGR-UHFFFAOYSA-N
XLogP1.21
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.26
LogP ≤ 51.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

6-[(4-Phenylbutyl)carbamoyl]cyclohex-3-ene-1-carboxylic acid
CID 2932841
2-({[2-(4-Fluorophenyl)ethyl]amino}carbonyl)cyclohexanecarboxylic acid
CID 3112062
4-((4-Fluorobenzyl)amino)-4-oxobutanoic acid
CID 3463041
N-Benzylglutaramic acid
CID 3605536
3-[(2-Phenylethyl)carbamoyl]propanoic acid
CID 3967310
N-(2-Phenethyl)glutaramic acid
CID 4301834
6-Phenethylcarbamoyl-cyclohex-3-enecarboxylic acid
CID 2900767
5-Oxo-5-[(3-phenylpropyl)amino]pentanoic acid
CID 2164885
5-Oxo-5-(4-phenylbutylamino)pentanoic acid
CID 2166775
6-{[2-(4-Fluorophenyl)ethyl]carbamoyl}-3,4-dimethylcyclohex-3-ene-1-carboxylic acid
CID 6468604
N-[2-(4-Fluoro-phenyl)-ethyl]-succinamic acid
CID 9151677
5-[2-(4-Fluorophenyl)ethylamino]-5-oxopentanoic acid
CID 11276830

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2-fluorophenyl)ethylcarbamoyl]cyclopropane-1-carboxylic acid?
The IUPAC name of 2-[2-(2-fluorophenyl)ethylcarbamoyl]cyclopropane-1-carboxylic acid (CID 60791079) is 2-[2-(2-fluorophenyl)ethylcarbamoyl]cyclopropane-1-carboxylic acid.
What is the SMILES notation for 2-[2-(2-fluorophenyl)ethylcarbamoyl]cyclopropane-1-carboxylic acid?
The canonical SMILES for 2-[2-(2-fluorophenyl)ethylcarbamoyl]cyclopropane-1-carboxylic acid is O=C(O)C1CC1C(=O)NCCc1ccccc1F.
What is the InChIKey of 2-[2-(2-fluorophenyl)ethylcarbamoyl]cyclopropane-1-carboxylic acid?
The InChIKey is FCOUTRJHHXQZGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14FNO3/c14-11-4-2-1-3-8(11)5-6-15-12(16)9-7-10(9)13(17)18/h1-4,9-10H,5-7H2,(H,15,16)(H,17,18).
What are the key properties of 2-[2-(2-fluorophenyl)ethylcarbamoyl]cyclopropane-1-carboxylic acid?
2-[2-(2-fluorophenyl)ethylcarbamoyl]cyclopropane-1-carboxylic acid has a molecular weight of 251.26 g/mol, XLogP of 1.21, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2-fluorophenyl)ethylcarbamoyl]cyclopropane-1-carboxylic acid is sourced from PubChem (CID 60791079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).