4-methyl-5-[[2-(trifluoromethyl)benzoyl]amino]pentanoic acid

C14H16F3NO3 — CID 82009837

IUPAC4-methyl-5-[[2-(trifluoromethyl)benzoyl]amino]pentanoic acid
SMILESCC(CCC(=O)O)CNC(=O)c1ccccc1C(F)(F)F
InChIInChI=1S/C14H16F3NO3/c1-9(6-7-12(19)20)8-18-13(21)10-4-2-3-5-11(10)14(15,16)17/h2-5,9H,6-8H2,1H3,(H,18,21)(H,19,20)
InChIKeyUSSUYKUQPBBWES-UHFFFAOYSA-N
MW303.28 g/mol
LogP2.94
Rot. Bonds6

About 4-methyl-5-[[2-(trifluoromethyl)benzoyl]amino]pentanoic acid

4-methyl-5-[[2-(trifluoromethyl)benzoyl]amino]pentanoic acid (PubChem CID 82009837) has the molecular formula C14H16F3NO3 and a molecular weight of 303.28 g/mol. Its IUPAC name is 4-methyl-5-[[2-(trifluoromethyl)benzoyl]amino]pentanoic acid.

Molecular Properties

Compound Name4-methyl-5-[[2-(trifluoromethyl)benzoyl]amino]pentanoic acid
PubChem CID82009837
Molecular FormulaC14H16F3NO3
Molecular Weight303.28 g/mol
Exact Mass303.11
IUPAC Name4-methyl-5-[[2-(trifluoromethyl)benzoyl]amino]pentanoic acid
SMILESCC(CCC(=O)O)CNC(=O)c1ccccc1C(F)(F)F
InChIInChI=1S/C14H16F3NO3/c1-9(6-7-12(19)20)8-18-13(21)10-4-2-3-5-11(10)14(15,16)17/h2-5,9H,6-8H2,1H3,(H,18,21)(H,19,20)
InChIKeyUSSUYKUQPBBWES-UHFFFAOYSA-N
XLogP2.94
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.28
LogP ≤ 52.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(4R)-4-[[2-(trifluoromethyl)benzoyl]amino]pentanoic acid
CID 95359045
5-[(2-fluoro-3-methylbenzoyl)amino]-4-methylpentanoic acid
CID 82682663
5-[(3-hydroxy-2-methylbenzoyl)amino]-4-methylpentanoic acid
CID 82826570
N-(2-chloro-4-methylpentyl)-2-(trifluoromethyl)benzamide
CID 107157383
N-(4-chloropentyl)-2-(trifluoromethyl)benzamide
CID 106129608
N-(2,3-dihydroxypropyl)-2-(trifluoromethyl)benzamide
CID 66175998
3-[propan-2-yl-[2-(trifluoromethyl)benzoyl]amino]propanoic acid
CID 60830546
N-(5-amino-4-methylpentyl)-2-(trifluoromethyl)benzamide
CID 106152852
5-[(2-chloropyridine-3-carbonyl)amino]-4-methylpentanoic acid
CID 114037156
N-[(2R)-2-fluoro-2-[2-(trifluoromethyl)phenyl]ethyl]-2-(trifluoromethyl)benzamide
CID 129410835
N-(2-chloro-4,4-dimethylpentyl)-2-(trifluoromethyl)benzamide
CID 107156990
N-[2,2-bis(furan-2-yl)ethyl]-2-(trifluoromethyl)benzamide
CID 131701791

Frequently Asked Questions

What is the IUPAC name of 4-methyl-5-[[2-(trifluoromethyl)benzoyl]amino]pentanoic acid?
The IUPAC name of 4-methyl-5-[[2-(trifluoromethyl)benzoyl]amino]pentanoic acid (CID 82009837) is 4-methyl-5-[[2-(trifluoromethyl)benzoyl]amino]pentanoic acid.
What is the SMILES notation for 4-methyl-5-[[2-(trifluoromethyl)benzoyl]amino]pentanoic acid?
The canonical SMILES for 4-methyl-5-[[2-(trifluoromethyl)benzoyl]amino]pentanoic acid is CC(CCC(=O)O)CNC(=O)c1ccccc1C(F)(F)F.
What is the InChIKey of 4-methyl-5-[[2-(trifluoromethyl)benzoyl]amino]pentanoic acid?
The InChIKey is USSUYKUQPBBWES-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16F3NO3/c1-9(6-7-12(19)20)8-18-13(21)10-4-2-3-5-11(10)14(15,16)17/h2-5,9H,6-8H2,1H3,(H,18,21)(H,19,20).
What are the key properties of 4-methyl-5-[[2-(trifluoromethyl)benzoyl]amino]pentanoic acid?
4-methyl-5-[[2-(trifluoromethyl)benzoyl]amino]pentanoic acid has a molecular weight of 303.28 g/mol, XLogP of 2.94, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-5-[[2-(trifluoromethyl)benzoyl]amino]pentanoic acid is sourced from PubChem (CID 82009837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).