5-[[(4-fluorophenyl)methyl-methylcarbamoyl]amino]-5-oxopentanoic acid

C14H17FN2O4 — CID 61413324

IUPAC5-[[(4-fluorophenyl)methyl-methylcarbamoyl]amino]-5-oxopentanoic acid
SMILESCN(Cc1ccc(F)cc1)C(=O)NC(=O)CCCC(=O)O
InChIInChI=1S/C14H17FN2O4/c1-17(9-10-5-7-11(15)8-6-10)14(21)16-12(18)3-2-4-13(19)20/h5-8H,2-4,9H2,1H3,(H,19,20)(H,16,18,21)
InChIKeyABOCEYKVUATXKW-UHFFFAOYSA-N
MW296.30 g/mol
LogP1.75
Rot. Bonds6

About 5-[[(4-fluorophenyl)methyl-methylcarbamoyl]amino]-5-oxopentanoic acid

5-[[(4-fluorophenyl)methyl-methylcarbamoyl]amino]-5-oxopentanoic acid (PubChem CID 61413324) has the molecular formula C14H17FN2O4 and a molecular weight of 296.30 g/mol. Its IUPAC name is 5-[[(4-fluorophenyl)methyl-methylcarbamoyl]amino]-5-oxopentanoic acid.

Molecular Properties

Compound Name5-[[(4-fluorophenyl)methyl-methylcarbamoyl]amino]-5-oxopentanoic acid
PubChem CID61413324
Molecular FormulaC14H17FN2O4
Molecular Weight296.30 g/mol
Exact Mass296.12
IUPAC Name5-[[(4-fluorophenyl)methyl-methylcarbamoyl]amino]-5-oxopentanoic acid
SMILESCN(Cc1ccc(F)cc1)C(=O)NC(=O)CCCC(=O)O
InChIInChI=1S/C14H17FN2O4/c1-17(9-10-5-7-11(15)8-6-10)14(21)16-12(18)3-2-4-13(19)20/h5-8H,2-4,9H2,1H3,(H,19,20)(H,16,18,21)
InChIKeyABOCEYKVUATXKW-UHFFFAOYSA-N
XLogP1.75
TPSA86.71 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.30
LogP ≤ 51.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-[[(4-fluorophenyl)methyl-methylcarbamoyl]amino]-5-oxopentanoic acid?
The IUPAC name of 5-[[(4-fluorophenyl)methyl-methylcarbamoyl]amino]-5-oxopentanoic acid (CID 61413324) is 5-[[(4-fluorophenyl)methyl-methylcarbamoyl]amino]-5-oxopentanoic acid.
What is the SMILES notation for 5-[[(4-fluorophenyl)methyl-methylcarbamoyl]amino]-5-oxopentanoic acid?
The canonical SMILES for 5-[[(4-fluorophenyl)methyl-methylcarbamoyl]amino]-5-oxopentanoic acid is CN(Cc1ccc(F)cc1)C(=O)NC(=O)CCCC(=O)O.
What is the InChIKey of 5-[[(4-fluorophenyl)methyl-methylcarbamoyl]amino]-5-oxopentanoic acid?
The InChIKey is ABOCEYKVUATXKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17FN2O4/c1-17(9-10-5-7-11(15)8-6-10)14(21)16-12(18)3-2-4-13(19)20/h5-8H,2-4,9H2,1H3,(H,19,20)(H,16,18,21).
What are the key properties of 5-[[(4-fluorophenyl)methyl-methylcarbamoyl]amino]-5-oxopentanoic acid?
5-[[(4-fluorophenyl)methyl-methylcarbamoyl]amino]-5-oxopentanoic acid has a molecular weight of 296.30 g/mol, XLogP of 1.75, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[(4-fluorophenyl)methyl-methylcarbamoyl]amino]-5-oxopentanoic acid is sourced from PubChem (CID 61413324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).