3-[2-(2-fluorophenyl)ethylcarbamoylamino]-2-methoxypropanoic acid

C13H17FN2O4 — CID 106109609

IUPAC3-[2-(2-fluorophenyl)ethylcarbamoylamino]-2-methoxypropanoic acid
SMILESCOC(CNC(=O)NCCc1ccccc1F)C(=O)O
InChIInChI=1S/C13H17FN2O4/c1-20-11(12(17)18)8-16-13(19)15-7-6-9-4-2-3-5-10(9)14/h2-5,11H,6-8H2,1H3,(H,17,18)(H2,15,16,19)
InChIKeyPTACRKFSXFIMGR-UHFFFAOYSA-N
MW284.29 g/mol
LogP0.77
Rot. Bonds7

About 3-[2-(2-fluorophenyl)ethylcarbamoylamino]-2-methoxypropanoic acid

3-[2-(2-fluorophenyl)ethylcarbamoylamino]-2-methoxypropanoic acid (PubChem CID 106109609) has the molecular formula C13H17FN2O4 and a molecular weight of 284.29 g/mol. Its IUPAC name is 3-[2-(2-fluorophenyl)ethylcarbamoylamino]-2-methoxypropanoic acid.

Molecular Properties

Compound Name3-[2-(2-fluorophenyl)ethylcarbamoylamino]-2-methoxypropanoic acid
PubChem CID106109609
Molecular FormulaC13H17FN2O4
Molecular Weight284.29 g/mol
Exact Mass284.12
IUPAC Name3-[2-(2-fluorophenyl)ethylcarbamoylamino]-2-methoxypropanoic acid
SMILESCOC(CNC(=O)NCCc1ccccc1F)C(=O)O
InChIInChI=1S/C13H17FN2O4/c1-20-11(12(17)18)8-16-13(19)15-7-6-9-4-2-3-5-10(9)14/h2-5,11H,6-8H2,1H3,(H,17,18)(H2,15,16,19)
InChIKeyPTACRKFSXFIMGR-UHFFFAOYSA-N
XLogP0.77
TPSA87.66 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.29
LogP ≤ 50.77
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

3-[2-(2,4-dichlorophenyl)ethylcarbamoylamino]-2-methoxypropanoic acid
CID 106109635
2-[2-(2-fluorophenyl)ethylcarbamoylamino]propanoic acid
CID 3657012
1-[2-(2-fluorophenyl)ethyl]-3-[2-(2-fluorophenyl)-2-hydroxyethyl]urea
CID 110893413
1-[2-(2-fluorophenyl)ethyl]-3-[2-hydroxy-2-(2-methylphenyl)ethyl]urea
CID 111119522
methyl 5-[2-(2-fluorophenyl)ethylcarbamoylamino]pentanoate
CID 60591384
2-methoxy-3-(2-pyridin-4-ylethylcarbamoylamino)propanoic acid
CID 106109788
1-[4-(2-fluorophenyl)butyl]-3-(2-methylpropyl)urea
CID 110607188
2-[2-(2-fluorophenyl)ethylcarbamoylamino]-4-methylpentanoic acid
CID 4222728
1-[(2R)-2-(4-chlorophenyl)-2-hydroxyethyl]-3-[2-(2-fluorophenyl)ethyl]urea
CID 36512499
1-[2-(2-fluorophenyl)ethyl]-3-pentan-3-ylurea
CID 108888420
1-benzhydryl-3-[2-(2-fluorophenyl)ethyl]urea
CID 41304292
ethyl 2-[2-(2-fluorophenyl)ethylcarbamoylamino]acetate
CID 43385174

Frequently Asked Questions

What is the IUPAC name of 3-[2-(2-fluorophenyl)ethylcarbamoylamino]-2-methoxypropanoic acid?
The IUPAC name of 3-[2-(2-fluorophenyl)ethylcarbamoylamino]-2-methoxypropanoic acid (CID 106109609) is 3-[2-(2-fluorophenyl)ethylcarbamoylamino]-2-methoxypropanoic acid.
What is the SMILES notation for 3-[2-(2-fluorophenyl)ethylcarbamoylamino]-2-methoxypropanoic acid?
The canonical SMILES for 3-[2-(2-fluorophenyl)ethylcarbamoylamino]-2-methoxypropanoic acid is COC(CNC(=O)NCCc1ccccc1F)C(=O)O.
What is the InChIKey of 3-[2-(2-fluorophenyl)ethylcarbamoylamino]-2-methoxypropanoic acid?
The InChIKey is PTACRKFSXFIMGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17FN2O4/c1-20-11(12(17)18)8-16-13(19)15-7-6-9-4-2-3-5-10(9)14/h2-5,11H,6-8H2,1H3,(H,17,18)(H2,15,16,19).
What are the key properties of 3-[2-(2-fluorophenyl)ethylcarbamoylamino]-2-methoxypropanoic acid?
3-[2-(2-fluorophenyl)ethylcarbamoylamino]-2-methoxypropanoic acid has a molecular weight of 284.29 g/mol, XLogP of 0.77, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(2-fluorophenyl)ethylcarbamoylamino]-2-methoxypropanoic acid is sourced from PubChem (CID 106109609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).