5-[(3-fluorophenyl)methylcarbamoylamino]-5-oxopentanoic acid

C13H15FN2O4 — CID 28970947

IUPAC5-[(3-fluorophenyl)methylcarbamoylamino]-5-oxopentanoic acid
SMILESO=C(O)CCCC(=O)NC(=O)NCc1cccc(F)c1
InChIInChI=1S/C13H15FN2O4/c14-10-4-1-3-9(7-10)8-15-13(20)16-11(17)5-2-6-12(18)19/h1,3-4,7H,2,5-6,8H2,(H,18,19)(H2,15,16,17,20)
InChIKeyPKDVLCPPYUOBTF-UHFFFAOYSA-N
MW282.27 g/mol
LogP1.41
Rot. Bonds6

About 5-[(3-fluorophenyl)methylcarbamoylamino]-5-oxopentanoic acid

5-[(3-fluorophenyl)methylcarbamoylamino]-5-oxopentanoic acid (PubChem CID 28970947) has the molecular formula C13H15FN2O4 and a molecular weight of 282.27 g/mol. Its IUPAC name is 5-[(3-fluorophenyl)methylcarbamoylamino]-5-oxopentanoic acid.

Molecular Properties

Compound Name5-[(3-fluorophenyl)methylcarbamoylamino]-5-oxopentanoic acid
PubChem CID28970947
Molecular FormulaC13H15FN2O4
Molecular Weight282.27 g/mol
Exact Mass282.10
IUPAC Name5-[(3-fluorophenyl)methylcarbamoylamino]-5-oxopentanoic acid
SMILESO=C(O)CCCC(=O)NC(=O)NCc1cccc(F)c1
InChIInChI=1S/C13H15FN2O4/c14-10-4-1-3-9(7-10)8-15-13(20)16-11(17)5-2-6-12(18)19/h1,3-4,7H,2,5-6,8H2,(H,18,19)(H2,15,16,17,20)
InChIKeyPKDVLCPPYUOBTF-UHFFFAOYSA-N
XLogP1.41
TPSA95.50 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.27
LogP ≤ 51.41
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-[(3-fluorophenyl)methylcarbamoylamino]-5-oxopentanoic acid?
The IUPAC name of 5-[(3-fluorophenyl)methylcarbamoylamino]-5-oxopentanoic acid (CID 28970947) is 5-[(3-fluorophenyl)methylcarbamoylamino]-5-oxopentanoic acid.
What is the SMILES notation for 5-[(3-fluorophenyl)methylcarbamoylamino]-5-oxopentanoic acid?
The canonical SMILES for 5-[(3-fluorophenyl)methylcarbamoylamino]-5-oxopentanoic acid is O=C(O)CCCC(=O)NC(=O)NCc1cccc(F)c1.
What is the InChIKey of 5-[(3-fluorophenyl)methylcarbamoylamino]-5-oxopentanoic acid?
The InChIKey is PKDVLCPPYUOBTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15FN2O4/c14-10-4-1-3-9(7-10)8-15-13(20)16-11(17)5-2-6-12(18)19/h1,3-4,7H,2,5-6,8H2,(H,18,19)(H2,15,16,17,20).
What are the key properties of 5-[(3-fluorophenyl)methylcarbamoylamino]-5-oxopentanoic acid?
5-[(3-fluorophenyl)methylcarbamoylamino]-5-oxopentanoic acid has a molecular weight of 282.27 g/mol, XLogP of 1.41, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(3-fluorophenyl)methylcarbamoylamino]-5-oxopentanoic acid is sourced from PubChem (CID 28970947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).