5-(5-carbamoyl-3-fluoro-2-methylanilino)-5-oxopentanoic acid

C13H15FN2O4 — CID 60940811

IUPAC5-(5-carbamoyl-3-fluoro-2-methylanilino)-5-oxopentanoic acid
SMILESCc1c(F)cc(C(N)=O)cc1NC(=O)CCCC(=O)O
InChIInChI=1S/C13H15FN2O4/c1-7-9(14)5-8(13(15)20)6-10(7)16-11(17)3-2-4-12(18)19/h5-6H,2-4H2,1H3,(H2,15,20)(H,16,17)(H,18,19)
InChIKeyGOIWJMZGKWKTDB-UHFFFAOYSA-N
MW282.27 g/mol
LogP1.43
Rot. Bonds6

About 5-(5-carbamoyl-3-fluoro-2-methylanilino)-5-oxopentanoic acid

5-(5-carbamoyl-3-fluoro-2-methylanilino)-5-oxopentanoic acid (PubChem CID 60940811) has the molecular formula C13H15FN2O4 and a molecular weight of 282.27 g/mol. Its IUPAC name is 5-(5-carbamoyl-3-fluoro-2-methylanilino)-5-oxopentanoic acid.

Molecular Properties

Compound Name5-(5-carbamoyl-3-fluoro-2-methylanilino)-5-oxopentanoic acid
PubChem CID60940811
Molecular FormulaC13H15FN2O4
Molecular Weight282.27 g/mol
Exact Mass282.10
IUPAC Name5-(5-carbamoyl-3-fluoro-2-methylanilino)-5-oxopentanoic acid
SMILESCc1c(F)cc(C(N)=O)cc1NC(=O)CCCC(=O)O
InChIInChI=1S/C13H15FN2O4/c1-7-9(14)5-8(13(15)20)6-10(7)16-11(17)3-2-4-12(18)19/h5-6H,2-4H2,1H3,(H2,15,20)(H,16,17)(H,18,19)
InChIKeyGOIWJMZGKWKTDB-UHFFFAOYSA-N
XLogP1.43
TPSA109.49 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 ≤ 51.43
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

3-(7-aminoheptanoylamino)-5-fluoro-4-methylbenzamide
CID 43713943
6-(5-carbamoyl-2-fluoroanilino)-6-oxohexanoic acid
CID 60940783
3-[4-(4-acetylphenoxy)butanoylamino]-5-fluoro-4-methylbenzamide
CID 78886176
3-[3-(cyclopropylamino)propanoylamino]-5-fluoro-4-methylbenzamide
CID 60868211
5-(5-carbamoyl-2,4-difluoroanilino)-5-oxopentanoic acid
CID 60942030
3-[[2-(cyclopropylamino)acetyl]amino]-5-fluoro-4-methylbenzamide
CID 54924427
5-(2,5-difluoro-4-methylanilino)-5-oxopentanoic acid
CID 103584588
3-fluoro-5-formamido-4-methylbenzamide
CID 64992744
4-(5-carbamoyl-3-fluoro-2-methylanilino)-2,3-dimethyl-4-oxobut-2-enoic acid
CID 76993167
3-[4-(4-cyano-2-methoxyphenoxy)butanoylamino]-5-fluoro-4-methylbenzamide
CID 55784723
3-fluoro-4-methyl-5-[3-(5-phenyl-1,3-oxazol-2-yl)propanoylamino]benzamide
CID 55784491
5-(4-fluoro-2-methylanilino)-5-oxopentanoic acid
CID 17283084

Frequently Asked Questions

What is the IUPAC name of 5-(5-carbamoyl-3-fluoro-2-methylanilino)-5-oxopentanoic acid?
The IUPAC name of 5-(5-carbamoyl-3-fluoro-2-methylanilino)-5-oxopentanoic acid (CID 60940811) is 5-(5-carbamoyl-3-fluoro-2-methylanilino)-5-oxopentanoic acid.
What is the SMILES notation for 5-(5-carbamoyl-3-fluoro-2-methylanilino)-5-oxopentanoic acid?
The canonical SMILES for 5-(5-carbamoyl-3-fluoro-2-methylanilino)-5-oxopentanoic acid is Cc1c(F)cc(C(N)=O)cc1NC(=O)CCCC(=O)O.
What is the InChIKey of 5-(5-carbamoyl-3-fluoro-2-methylanilino)-5-oxopentanoic acid?
The InChIKey is GOIWJMZGKWKTDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15FN2O4/c1-7-9(14)5-8(13(15)20)6-10(7)16-11(17)3-2-4-12(18)19/h5-6H,2-4H2,1H3,(H2,15,20)(H,16,17)(H,18,19).
What are the key properties of 5-(5-carbamoyl-3-fluoro-2-methylanilino)-5-oxopentanoic acid?
5-(5-carbamoyl-3-fluoro-2-methylanilino)-5-oxopentanoic acid has a molecular weight of 282.27 g/mol, XLogP of 1.43, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(5-carbamoyl-3-fluoro-2-methylanilino)-5-oxopentanoic acid is sourced from PubChem (CID 60940811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).