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

C14H18FNO3 — CID 55163046

IUPAC2-[(4-fluoro-3-methylbenzoyl)amino]-2-methylpentanoic acid
SMILESCCCC(C)(NC(=O)c1ccc(F)c(C)c1)C(=O)O
InChIInChI=1S/C14H18FNO3/c1-4-7-14(3,13(18)19)16-12(17)10-5-6-11(15)9(2)8-10/h5-6,8H,4,7H2,1-3H3,(H,16,17)(H,18,19)
InChIKeyFDDBNPLKAODAEU-UHFFFAOYSA-N
MW267.30 g/mol
LogP2.51
Rot. Bonds5

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

2-[(4-fluoro-3-methylbenzoyl)amino]-2-methylpentanoic acid (PubChem CID 55163046) has the molecular formula C14H18FNO3 and a molecular weight of 267.30 g/mol. Its IUPAC name is 2-[(4-fluoro-3-methylbenzoyl)amino]-2-methylpentanoic acid.

Molecular Properties

Compound Name2-[(4-fluoro-3-methylbenzoyl)amino]-2-methylpentanoic acid
PubChem CID55163046
Molecular FormulaC14H18FNO3
Molecular Weight267.30 g/mol
Exact Mass267.13
IUPAC Name2-[(4-fluoro-3-methylbenzoyl)amino]-2-methylpentanoic acid
SMILESCCCC(C)(NC(=O)c1ccc(F)c(C)c1)C(=O)O
InChIInChI=1S/C14H18FNO3/c1-4-7-14(3,13(18)19)16-12(17)10-5-6-11(15)9(2)8-10/h5-6,8H,4,7H2,1-3H3,(H,16,17)(H,18,19)
InChIKeyFDDBNPLKAODAEU-UHFFFAOYSA-N
XLogP2.51
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.30
LogP ≤ 52.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-[(4-fluoro-3-methylphenyl)carbamoylamino]-2-methylpentanoic acid
CID 62812916
2-[[3-[(2-fluorobenzoyl)amino]-4-methylbenzoyl]amino]-2-methylpentanoic acid
CID 119192334
2-methyl-2-[(2,3,4-trifluorobenzoyl)amino]pentanoic acid
CID 79749694
2-[(3,5-dihydroxybenzoyl)amino]-2-methylpentanoic acid
CID 107702413
2-(2,3-dihydro-1,4-benzodioxine-6-carbonylamino)-2-methylpentanoic acid
CID 43619133
(2R)-2-cyclopropyl-2-[(4-fluoro-3-methylbenzoyl)amino]propanoic acid
CID 95031796
2-[(1,5-dimethylpyrrole-2-carbonyl)amino]-2-methylpentanoic acid
CID 43619096
N-[1-bromo-2-(bromomethyl)butan-2-yl]-4-fluoro-3-methylbenzamide
CID 114010919
N-(3,3-dimethylbutyl)-4-fluoro-3-methylbenzamide
CID 115611491
2-[(5-fluoro-2-hydroxybenzoyl)amino]-2-methylpentanoic acid
CID 115298445
2-[(2,4-dichlorobenzoyl)amino]-2-methylpentanoic acid
CID 43618517
2-methyl-2-[(3-methylsulfonylbenzoyl)amino]pentanoic acid
CID 43618545

Frequently Asked Questions

What is the IUPAC name of 2-[(4-fluoro-3-methylbenzoyl)amino]-2-methylpentanoic acid?
The IUPAC name of 2-[(4-fluoro-3-methylbenzoyl)amino]-2-methylpentanoic acid (CID 55163046) is 2-[(4-fluoro-3-methylbenzoyl)amino]-2-methylpentanoic acid.
What is the SMILES notation for 2-[(4-fluoro-3-methylbenzoyl)amino]-2-methylpentanoic acid?
The canonical SMILES for 2-[(4-fluoro-3-methylbenzoyl)amino]-2-methylpentanoic acid is CCCC(C)(NC(=O)c1ccc(F)c(C)c1)C(=O)O.
What is the InChIKey of 2-[(4-fluoro-3-methylbenzoyl)amino]-2-methylpentanoic acid?
The InChIKey is FDDBNPLKAODAEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18FNO3/c1-4-7-14(3,13(18)19)16-12(17)10-5-6-11(15)9(2)8-10/h5-6,8H,4,7H2,1-3H3,(H,16,17)(H,18,19).
What are the key properties of 2-[(4-fluoro-3-methylbenzoyl)amino]-2-methylpentanoic acid?
2-[(4-fluoro-3-methylbenzoyl)amino]-2-methylpentanoic acid has a molecular weight of 267.30 g/mol, XLogP of 2.51, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-fluoro-3-methylbenzoyl)amino]-2-methylpentanoic acid is sourced from PubChem (CID 55163046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).