2-[[(3-fluoro-2-methylbenzoyl)amino]methyl]-4-methylpentanoic acid

C15H20FNO3 — CID 122108013

IUPAC2-[[(3-fluoro-2-methylbenzoyl)amino]methyl]-4-methylpentanoic acid
SMILESCc1c(F)cccc1C(=O)NCC(CC(C)C)C(=O)O
InChIInChI=1S/C15H20FNO3/c1-9(2)7-11(15(19)20)8-17-14(18)12-5-4-6-13(16)10(12)3/h4-6,9,11H,7-8H2,1-3H3,(H,17,18)(H,19,20)
InChIKeyKWZQXCUMYUVCGK-UHFFFAOYSA-N
MW281.33 g/mol
LogP2.61
Rot. Bonds6

About 2-[[(3-fluoro-2-methylbenzoyl)amino]methyl]-4-methylpentanoic acid

2-[[(3-fluoro-2-methylbenzoyl)amino]methyl]-4-methylpentanoic acid (PubChem CID 122108013) has the molecular formula C15H20FNO3 and a molecular weight of 281.33 g/mol. Its IUPAC name is 2-[[(3-fluoro-2-methylbenzoyl)amino]methyl]-4-methylpentanoic acid.

Molecular Properties

Compound Name2-[[(3-fluoro-2-methylbenzoyl)amino]methyl]-4-methylpentanoic acid
PubChem CID122108013
Molecular FormulaC15H20FNO3
Molecular Weight281.33 g/mol
Exact Mass281.14
IUPAC Name2-[[(3-fluoro-2-methylbenzoyl)amino]methyl]-4-methylpentanoic acid
SMILESCc1c(F)cccc1C(=O)NCC(CC(C)C)C(=O)O
InChIInChI=1S/C15H20FNO3/c1-9(2)7-11(15(19)20)8-17-14(18)12-5-4-6-13(16)10(12)3/h4-6,9,11H,7-8H2,1-3H3,(H,17,18)(H,19,20)
InChIKeyKWZQXCUMYUVCGK-UHFFFAOYSA-N
XLogP2.61
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.33
LogP ≤ 52.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 2-[[(3-fluoro-2-methylbenzoyl)amino]methyl]-4-methylpentanoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(2-chloropropyl)-3-fluoro-2-methylbenzamide
CID 131197905
2-[[(2,6-dimethylbenzoyl)amino]methyl]-4-methylpentanoic acid
CID 103925730
4-methyl-2-[[[2-(3-methyl-1,2,4-oxadiazol-5-yl)benzoyl]amino]methyl]pentanoic acid
CID 119253201
4-methyl-2-[[[2-(trifluoromethyl)pyridine-3-carbonyl]amino]methyl]pentanoic acid
CID 120528438
2-[[(2-bromo-5-methylbenzoyl)amino]methyl]-4-methylpentanoic acid
CID 81110372
2-[[[2-(ethylsulfonylamino)benzoyl]amino]methyl]-4-methylpentanoic acid
CID 119253441
2-[[(5-chloro-2-iodobenzoyl)amino]methyl]-4-methylpentanoic acid
CID 103791345
4-methyl-2-[[[2-(trifluoromethylsulfanyl)pyridine-3-carbonyl]amino]methyl]pentanoic acid
CID 120528641
2-[[[2-(2,6-difluorophenyl)cyclopropanecarbonyl]amino]methyl]-4-methylpentanoic acid
CID 119253082
N-(2-amino-4-methylpentyl)-2-fluorobenzamide
CID 107158830
2-[(3-fluoro-2-methylbenzoyl)-methylamino]propanoic acid
CID 122107523
2-[[[4-fluoro-3-(methoxymethyl)-1-benzothiophene-2-carbonyl]amino]methyl]-4-methylpentanoic acid
CID 119252995

Frequently Asked Questions

What is the IUPAC name of 2-[[(3-fluoro-2-methylbenzoyl)amino]methyl]-4-methylpentanoic acid?
The IUPAC name of 2-[[(3-fluoro-2-methylbenzoyl)amino]methyl]-4-methylpentanoic acid (CID 122108013) is 2-[[(3-fluoro-2-methylbenzoyl)amino]methyl]-4-methylpentanoic acid.
What is the SMILES notation for 2-[[(3-fluoro-2-methylbenzoyl)amino]methyl]-4-methylpentanoic acid?
The canonical SMILES for 2-[[(3-fluoro-2-methylbenzoyl)amino]methyl]-4-methylpentanoic acid is Cc1c(F)cccc1C(=O)NCC(CC(C)C)C(=O)O.
What is the InChIKey of 2-[[(3-fluoro-2-methylbenzoyl)amino]methyl]-4-methylpentanoic acid?
The InChIKey is KWZQXCUMYUVCGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20FNO3/c1-9(2)7-11(15(19)20)8-17-14(18)12-5-4-6-13(16)10(12)3/h4-6,9,11H,7-8H2,1-3H3,(H,17,18)(H,19,20).
What are the key properties of 2-[[(3-fluoro-2-methylbenzoyl)amino]methyl]-4-methylpentanoic acid?
2-[[(3-fluoro-2-methylbenzoyl)amino]methyl]-4-methylpentanoic acid has a molecular weight of 281.33 g/mol, XLogP of 2.61, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(3-fluoro-2-methylbenzoyl)amino]methyl]-4-methylpentanoic acid is sourced from PubChem (CID 122108013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).