2-[(4-fluoro-3-methylbenzoyl)amino]-5-methoxypentanoic acid

C14H18FNO4 — CID 81076583

IUPAC2-[(4-fluoro-3-methylbenzoyl)amino]-5-methoxypentanoic acid
SMILESCOCCCC(NC(=O)c1ccc(F)c(C)c1)C(=O)O
InChIInChI=1S/C14H18FNO4/c1-9-8-10(5-6-11(9)15)13(17)16-12(14(18)19)4-3-7-20-2/h5-6,8,12H,3-4,7H2,1-2H3,(H,16,17)(H,18,19)
InChIKeyZOYFRRZUGXQRIA-UHFFFAOYSA-N
MW283.30 g/mol
LogP1.74
Rot. Bonds7

About 2-[(4-fluoro-3-methylbenzoyl)amino]-5-methoxypentanoic acid

2-[(4-fluoro-3-methylbenzoyl)amino]-5-methoxypentanoic acid (PubChem CID 81076583) has the molecular formula C14H18FNO4 and a molecular weight of 283.30 g/mol. Its IUPAC name is 2-[(4-fluoro-3-methylbenzoyl)amino]-5-methoxypentanoic acid.

Molecular Properties

Compound Name2-[(4-fluoro-3-methylbenzoyl)amino]-5-methoxypentanoic acid
PubChem CID81076583
Molecular FormulaC14H18FNO4
Molecular Weight283.30 g/mol
Exact Mass283.12
IUPAC Name2-[(4-fluoro-3-methylbenzoyl)amino]-5-methoxypentanoic acid
SMILESCOCCCC(NC(=O)c1ccc(F)c(C)c1)C(=O)O
InChIInChI=1S/C14H18FNO4/c1-9-8-10(5-6-11(9)15)13(17)16-12(14(18)19)4-3-7-20-2/h5-6,8,12H,3-4,7H2,1-2H3,(H,16,17)(H,18,19)
InChIKeyZOYFRRZUGXQRIA-UHFFFAOYSA-N
XLogP1.74
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.30
LogP ≤ 51.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-[(3,4-dimethylbenzoyl)amino]-5-methoxypentanoic acid
CID 81077142
2-[(3-hydroxy-4-methylbenzoyl)amino]-5-methoxypentanoic acid
CID 81076917
5-methoxy-2-[(4-methylbenzoyl)amino]pentanoic acid
CID 81077151
2-[(3,5-dimethylbenzoyl)amino]-5-methoxypentanoic acid
CID 81076564
(2S)-4-amino-2-[(4-fluoro-3-methylbenzoyl)amino]-4-oxobutanoic acid
CID 55230934
5-methoxy-2-[(4-methoxybenzoyl)amino]pentanoic acid
CID 81077484
2-[(3-bromo-4-methoxybenzoyl)amino]-5-methoxypentanoic acid
CID 81085672
2-[(3-acetamido-4-fluorobenzoyl)amino]-4-methoxybutanoic acid
CID 120702531
2-[(4-ethylbenzoyl)amino]-5-methoxypentanoic acid
CID 81077077
5-methoxy-2-[(4-propan-2-ylbenzoyl)amino]pentanoic acid
CID 81085643
2-[[4-(2-aminoethyl)benzoyl]amino]-5-methoxypentanoic acid
CID 81084211
2-[(2,5-dimethylbenzoyl)amino]-5-methoxypentanoic acid
CID 81076484

Frequently Asked Questions

What is the IUPAC name of 2-[(4-fluoro-3-methylbenzoyl)amino]-5-methoxypentanoic acid?
The IUPAC name of 2-[(4-fluoro-3-methylbenzoyl)amino]-5-methoxypentanoic acid (CID 81076583) is 2-[(4-fluoro-3-methylbenzoyl)amino]-5-methoxypentanoic acid.
What is the SMILES notation for 2-[(4-fluoro-3-methylbenzoyl)amino]-5-methoxypentanoic acid?
The canonical SMILES for 2-[(4-fluoro-3-methylbenzoyl)amino]-5-methoxypentanoic acid is COCCCC(NC(=O)c1ccc(F)c(C)c1)C(=O)O.
What is the InChIKey of 2-[(4-fluoro-3-methylbenzoyl)amino]-5-methoxypentanoic acid?
The InChIKey is ZOYFRRZUGXQRIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18FNO4/c1-9-8-10(5-6-11(9)15)13(17)16-12(14(18)19)4-3-7-20-2/h5-6,8,12H,3-4,7H2,1-2H3,(H,16,17)(H,18,19).
What are the key properties of 2-[(4-fluoro-3-methylbenzoyl)amino]-5-methoxypentanoic acid?
2-[(4-fluoro-3-methylbenzoyl)amino]-5-methoxypentanoic acid has a molecular weight of 283.30 g/mol, XLogP of 1.74, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-fluoro-3-methylbenzoyl)amino]-5-methoxypentanoic acid is sourced from PubChem (CID 81076583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).