5-[2-(2-fluorophenyl)ethylcarbamoylamino]-5-oxopentanoic acid

C14H17FN2O4 — CID 28931622

IUPAC5-[2-(2-fluorophenyl)ethylcarbamoylamino]-5-oxopentanoic acid
SMILESO=C(O)CCCC(=O)NC(=O)NCCc1ccccc1F
InChIInChI=1S/C14H17FN2O4/c15-11-5-2-1-4-10(11)8-9-16-14(21)17-12(18)6-3-7-13(19)20/h1-2,4-5H,3,6-9H2,(H,19,20)(H2,16,17,18,21)
InChIKeyHKILQHVGJDROIK-UHFFFAOYSA-N
MW296.30 g/mol
LogP1.45
Rot. Bonds7

About 5-[2-(2-fluorophenyl)ethylcarbamoylamino]-5-oxopentanoic acid

5-[2-(2-fluorophenyl)ethylcarbamoylamino]-5-oxopentanoic acid (PubChem CID 28931622) has the molecular formula C14H17FN2O4 and a molecular weight of 296.30 g/mol. Its IUPAC name is 5-[2-(2-fluorophenyl)ethylcarbamoylamino]-5-oxopentanoic acid.

Molecular Properties

Compound Name5-[2-(2-fluorophenyl)ethylcarbamoylamino]-5-oxopentanoic acid
PubChem CID28931622
Molecular FormulaC14H17FN2O4
Molecular Weight296.30 g/mol
Exact Mass296.12
IUPAC Name5-[2-(2-fluorophenyl)ethylcarbamoylamino]-5-oxopentanoic acid
SMILESO=C(O)CCCC(=O)NC(=O)NCCc1ccccc1F
InChIInChI=1S/C14H17FN2O4/c15-11-5-2-1-4-10(11)8-9-16-14(21)17-12(18)6-3-7-13(19)20/h1-2,4-5H,3,6-9H2,(H,19,20)(H2,16,17,18,21)
InChIKeyHKILQHVGJDROIK-UHFFFAOYSA-N
XLogP1.45
TPSA95.50 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.30
LogP ≤ 51.45
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

3-chloro-N-[2-(2-fluorophenyl)ethylcarbamoyl]propanamide
CID 43146096
5-oxo-5-(2-phenylethylcarbamoylamino)pentanoic acid
CID 28931773
2-(2-fluorophenyl)-N-[2-(2-fluorophenyl)ethyl]acetamide
CID 78792118
3-(2-fluorophenyl)propanoic acid
CID 2063866
N-[2-(2-fluorophenyl)ethyl]-2-(2-hydroxyphenyl)acetamide
CID 78990913
5-[[(2-fluorophenyl)methyl-methylcarbamoyl]amino]-5-oxopentanoic acid
CID 61412281
5-[2-(2-methylphenyl)ethylamino]-5-oxopentanoic acid
CID 78911171
4-[2-(2-fluorophenyl)ethylsulfamoyl]butanoic acid
CID 28513594
4-amino-5-[2-(2-fluorophenyl)ethylamino]-5-oxopentanoic acid
CID 64894439
1-[(E)-3,3-dimethylbut-1-enyl]-3-[2-(2-fluorophenyl)ethyl]urea
CID 108911582
N'-[2-(2-fluorophenyl)ethyl]-N-(2-phenylethyl)propanediamide
CID 108947912
1-benzhydryl-3-[2-(2-fluorophenyl)ethyl]urea
CID 41304292

Frequently Asked Questions

What is the IUPAC name of 5-[2-(2-fluorophenyl)ethylcarbamoylamino]-5-oxopentanoic acid?
The IUPAC name of 5-[2-(2-fluorophenyl)ethylcarbamoylamino]-5-oxopentanoic acid (CID 28931622) is 5-[2-(2-fluorophenyl)ethylcarbamoylamino]-5-oxopentanoic acid.
What is the SMILES notation for 5-[2-(2-fluorophenyl)ethylcarbamoylamino]-5-oxopentanoic acid?
The canonical SMILES for 5-[2-(2-fluorophenyl)ethylcarbamoylamino]-5-oxopentanoic acid is O=C(O)CCCC(=O)NC(=O)NCCc1ccccc1F.
What is the InChIKey of 5-[2-(2-fluorophenyl)ethylcarbamoylamino]-5-oxopentanoic acid?
The InChIKey is HKILQHVGJDROIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17FN2O4/c15-11-5-2-1-4-10(11)8-9-16-14(21)17-12(18)6-3-7-13(19)20/h1-2,4-5H,3,6-9H2,(H,19,20)(H2,16,17,18,21).
What are the key properties of 5-[2-(2-fluorophenyl)ethylcarbamoylamino]-5-oxopentanoic acid?
5-[2-(2-fluorophenyl)ethylcarbamoylamino]-5-oxopentanoic acid has a molecular weight of 296.30 g/mol, XLogP of 1.45, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(2-fluorophenyl)ethylcarbamoylamino]-5-oxopentanoic acid is sourced from PubChem (CID 28931622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).