3-[(2-fluoro-4-methoxybenzoyl)amino]-4,4-dimethylpentanoic acid

C15H20FNO4 — CID 102882007

IUPAC3-[(2-fluoro-4-methoxybenzoyl)amino]-4,4-dimethylpentanoic acid
SMILESCOc1ccc(C(=O)NC(CC(=O)O)C(C)(C)C)c(F)c1
InChIInChI=1S/C15H20FNO4/c1-15(2,3)12(8-13(18)19)17-14(20)10-6-5-9(21-4)7-11(10)16/h5-7,12H,8H2,1-4H3,(H,17,20)(H,18,19)
InChIKeyKUYAWNBXFOTJNL-UHFFFAOYSA-N
MW297.33 g/mol
LogP2.45
Rot. Bonds5

About 3-[(2-fluoro-4-methoxybenzoyl)amino]-4,4-dimethylpentanoic acid

3-[(2-fluoro-4-methoxybenzoyl)amino]-4,4-dimethylpentanoic acid (PubChem CID 102882007) has the molecular formula C15H20FNO4 and a molecular weight of 297.33 g/mol. Its IUPAC name is 3-[(2-fluoro-4-methoxybenzoyl)amino]-4,4-dimethylpentanoic acid.

Molecular Properties

Compound Name3-[(2-fluoro-4-methoxybenzoyl)amino]-4,4-dimethylpentanoic acid
PubChem CID102882007
Molecular FormulaC15H20FNO4
Molecular Weight297.33 g/mol
Exact Mass297.14
IUPAC Name3-[(2-fluoro-4-methoxybenzoyl)amino]-4,4-dimethylpentanoic acid
SMILESCOc1ccc(C(=O)NC(CC(=O)O)C(C)(C)C)c(F)c1
InChIInChI=1S/C15H20FNO4/c1-15(2,3)12(8-13(18)19)17-14(20)10-6-5-9(21-4)7-11(10)16/h5-7,12H,8H2,1-4H3,(H,17,20)(H,18,19)
InChIKeyKUYAWNBXFOTJNL-UHFFFAOYSA-N
XLogP2.45
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.33
LogP ≤ 52.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-[(4-amino-2-fluorobenzoyl)amino]-4,4-dimethylpentanoic acid
CID 107794801
N-(3,3-dimethylbutan-2-yl)-2-fluoro-4-methoxybenzamide
CID 103659243
(2R)-2-[(2-fluoro-4-methoxybenzoyl)amino]-4-methylpentanoic acid
CID 103804241
2-fluoro-N-(1-hydroxybutan-2-yl)-4-methoxybenzamide
CID 103604548
N-(1-chloro-4-methylpentan-3-yl)-2-fluoro-4-methoxybenzamide
CID 114177723
2-fluoro-4-methoxy-N-(3-methylpentan-3-yl)benzamide
CID 113235181
N-(1-amino-1-sulfanylidenepentan-3-yl)-2-fluoro-4-methoxybenzamide
CID 102883156
(2R)-2-[(2-fluoro-4-methoxybenzoyl)amino]-4-methylsulfanylbutanoic acid
CID 102882019
2-fluoro-N,4-dimethoxybenzamide
CID 103606176
N-(1-amino-4,4-dimethylpentan-3-yl)-2-hydroxy-5-methoxybenzamide
CID 106357233
2-amino-1-(2-fluoro-4-methoxyphenyl)-3,3-dimethylbutan-1-one
CID 103397216
5-(2-fluoro-4-methoxyphenyl)-3,3-dimethyl-5-oxopentanoic acid
CID 55157298

Frequently Asked Questions

What is the IUPAC name of 3-[(2-fluoro-4-methoxybenzoyl)amino]-4,4-dimethylpentanoic acid?
The IUPAC name of 3-[(2-fluoro-4-methoxybenzoyl)amino]-4,4-dimethylpentanoic acid (CID 102882007) is 3-[(2-fluoro-4-methoxybenzoyl)amino]-4,4-dimethylpentanoic acid.
What is the SMILES notation for 3-[(2-fluoro-4-methoxybenzoyl)amino]-4,4-dimethylpentanoic acid?
The canonical SMILES for 3-[(2-fluoro-4-methoxybenzoyl)amino]-4,4-dimethylpentanoic acid is COc1ccc(C(=O)NC(CC(=O)O)C(C)(C)C)c(F)c1.
What is the InChIKey of 3-[(2-fluoro-4-methoxybenzoyl)amino]-4,4-dimethylpentanoic acid?
The InChIKey is KUYAWNBXFOTJNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20FNO4/c1-15(2,3)12(8-13(18)19)17-14(20)10-6-5-9(21-4)7-11(10)16/h5-7,12H,8H2,1-4H3,(H,17,20)(H,18,19).
What are the key properties of 3-[(2-fluoro-4-methoxybenzoyl)amino]-4,4-dimethylpentanoic acid?
3-[(2-fluoro-4-methoxybenzoyl)amino]-4,4-dimethylpentanoic acid has a molecular weight of 297.33 g/mol, XLogP of 2.45, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-fluoro-4-methoxybenzoyl)amino]-4,4-dimethylpentanoic acid is sourced from PubChem (CID 102882007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).