5-[(4-fluorophenyl)methylcarbamoylamino]-5-oxopentanoic acid

C13H15FN2O4 — CID 28931828

IUPAC5-[(4-fluorophenyl)methylcarbamoylamino]-5-oxopentanoic acid
SMILESO=C(O)CCCC(=O)NC(=O)NCc1ccc(F)cc1
InChIInChI=1S/C13H15FN2O4/c14-10-6-4-9(5-7-10)8-15-13(20)16-11(17)2-1-3-12(18)19/h4-7H,1-3,8H2,(H,18,19)(H2,15,16,17,20)
InChIKeyKISGFNVQSXIUTI-UHFFFAOYSA-N
MW282.27 g/mol
LogP1.41
Rot. Bonds6

About 5-[(4-fluorophenyl)methylcarbamoylamino]-5-oxopentanoic acid

5-[(4-fluorophenyl)methylcarbamoylamino]-5-oxopentanoic acid (PubChem CID 28931828) has the molecular formula C13H15FN2O4 and a molecular weight of 282.27 g/mol. Its IUPAC name is 5-[(4-fluorophenyl)methylcarbamoylamino]-5-oxopentanoic acid.

Molecular Properties

Compound Name5-[(4-fluorophenyl)methylcarbamoylamino]-5-oxopentanoic acid
PubChem CID28931828
Molecular FormulaC13H15FN2O4
Molecular Weight282.27 g/mol
Exact Mass282.10
IUPAC Name5-[(4-fluorophenyl)methylcarbamoylamino]-5-oxopentanoic acid
SMILESO=C(O)CCCC(=O)NC(=O)NCc1ccc(F)cc1
InChIInChI=1S/C13H15FN2O4/c14-10-6-4-9(5-7-10)8-15-13(20)16-11(17)2-1-3-12(18)19/h4-7H,1-3,8H2,(H,18,19)(H2,15,16,17,20)
InChIKeyKISGFNVQSXIUTI-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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Related Compounds

5-[(4-Methylbenzyl)amino]-5-oxopentanoic acid
CID 2169806
N-Benzylglutaramic acid
CID 3605536
2-[1-(Benzylcarbamoyl)-4-oxoazetidin-2-yl]acetic acid
CID 162655936
5-[2-(4-Fluorophenyl)ethylamino]-5-oxopentanoic acid
CID 11276830
(2S)-2-amino-4-[(4-fluorophenyl)methylcarbamoyl]pent-4-enoic acid
CID 155579019
3-(1-Benzyl-2,5-dioxoimidazolidin-4-yl)propanoic acid
CID 45598718
5-[(4-Fluorobenzyl)amino]-5-oxopentanoic acid
CID 2166270
2-({[(4-Fluorophenyl)methyl]carbamoyl}amino)pentanoic acid
CID 16227641
3-[[1-(2-Fluorophenyl)ethylcarbamoylamino]methyl]pentanoic acid
CID 81065610
3-[[1-(3-Fluorophenyl)ethylcarbamoylamino]methyl]pentanoic acid
CID 81065611
N5-Benzyl-L-glutamine
CID 22886038
5-oxo-5-[[(1R)-1-phenylethyl]amino]pentanoic acid
CID 40599656

Frequently Asked Questions

What is the IUPAC name of 5-[(4-fluorophenyl)methylcarbamoylamino]-5-oxopentanoic acid?
The IUPAC name of 5-[(4-fluorophenyl)methylcarbamoylamino]-5-oxopentanoic acid (CID 28931828) is 5-[(4-fluorophenyl)methylcarbamoylamino]-5-oxopentanoic acid.
What is the SMILES notation for 5-[(4-fluorophenyl)methylcarbamoylamino]-5-oxopentanoic acid?
The canonical SMILES for 5-[(4-fluorophenyl)methylcarbamoylamino]-5-oxopentanoic acid is O=C(O)CCCC(=O)NC(=O)NCc1ccc(F)cc1.
What is the InChIKey of 5-[(4-fluorophenyl)methylcarbamoylamino]-5-oxopentanoic acid?
The InChIKey is KISGFNVQSXIUTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15FN2O4/c14-10-6-4-9(5-7-10)8-15-13(20)16-11(17)2-1-3-12(18)19/h4-7H,1-3,8H2,(H,18,19)(H2,15,16,17,20).
What are the key properties of 5-[(4-fluorophenyl)methylcarbamoylamino]-5-oxopentanoic acid?
5-[(4-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-[(4-fluorophenyl)methylcarbamoylamino]-5-oxopentanoic acid is sourced from PubChem (CID 28931828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).