3-methyl-2-[[3-(trifluoromethyl)benzoyl]amino]pentanoic acid

C14H16F3NO3 — CID 43079375

IUPAC3-methyl-2-[[3-(trifluoromethyl)benzoyl]amino]pentanoic acid
SMILESCCC(C)C(NC(=O)c1cccc(C(F)(F)F)c1)C(=O)O
InChIInChI=1S/C14H16F3NO3/c1-3-8(2)11(13(20)21)18-12(19)9-5-4-6-10(7-9)14(15,16)17/h4-8,11H,3H2,1-2H3,(H,18,19)(H,20,21)
InChIKeyRZFPLKSOTMOMMJ-UHFFFAOYSA-N
MW303.28 g/mol
LogP2.93
Rot. Bonds5

About 3-methyl-2-[[3-(trifluoromethyl)benzoyl]amino]pentanoic acid

3-methyl-2-[[3-(trifluoromethyl)benzoyl]amino]pentanoic acid (PubChem CID 43079375) has the molecular formula C14H16F3NO3 and a molecular weight of 303.28 g/mol. Its IUPAC name is 3-methyl-2-[[3-(trifluoromethyl)benzoyl]amino]pentanoic acid.

Molecular Properties

Compound Name3-methyl-2-[[3-(trifluoromethyl)benzoyl]amino]pentanoic acid
PubChem CID43079375
Molecular FormulaC14H16F3NO3
Molecular Weight303.28 g/mol
Exact Mass303.11
IUPAC Name3-methyl-2-[[3-(trifluoromethyl)benzoyl]amino]pentanoic acid
SMILESCCC(C)C(NC(=O)c1cccc(C(F)(F)F)c1)C(=O)O
InChIInChI=1S/C14H16F3NO3/c1-3-8(2)11(13(20)21)18-12(19)9-5-4-6-10(7-9)14(15,16)17/h4-8,11H,3H2,1-2H3,(H,18,19)(H,20,21)
InChIKeyRZFPLKSOTMOMMJ-UHFFFAOYSA-N
XLogP2.93
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.28
LogP ≤ 52.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-[[3-(trifluoromethyl)benzoyl]amino]butanoic acid
CID 43387176
2-[(3-fluorobenzoyl)amino]-3-methylpentanoic acid
CID 16774745
N-[(2S,3S)-3-methyl-1-oxo-1-[3-(trifluoromethyl)anilino]pentan-2-yl]benzamide
CID 9138725
2-[(3-carbamoylbenzoyl)amino]-3-methylpentanoic acid
CID 60858023
N-(4-chloro-3-methylbutan-2-yl)-3-(trifluoromethyl)benzamide
CID 113484980
methyl 3-methyl-2-[[3-(trifluoromethyl)benzoyl]amino]butanoate
CID 43405923
(2S)-3-methyl-2-[(3-methylsulfonylbenzoyl)amino]pentanoic acid
CID 61173413
3-methyl-2-[(3-methylsulfonylbenzoyl)amino]pentanoic acid
CID 16774130
(2S)-2-[[3-(methoxymethyl)benzoyl]amino]-3-methylpentanoic acid
CID 61172026
3-methyl-2-[[1-[3-(trifluoromethyl)phenyl]pyrazole-3-carbonyl]amino]pentanoic acid
CID 119211933
N-[(1R)-1-(3,4-diethoxyphenyl)ethyl]-3-(trifluoromethyl)benzamide
CID 7936459
2-[[3-[ethyl(methyl)carbamoyl]benzoyl]amino]-3-methylpentanoic acid
CID 119211823

Frequently Asked Questions

What is the IUPAC name of 3-methyl-2-[[3-(trifluoromethyl)benzoyl]amino]pentanoic acid?
The IUPAC name of 3-methyl-2-[[3-(trifluoromethyl)benzoyl]amino]pentanoic acid (CID 43079375) is 3-methyl-2-[[3-(trifluoromethyl)benzoyl]amino]pentanoic acid.
What is the SMILES notation for 3-methyl-2-[[3-(trifluoromethyl)benzoyl]amino]pentanoic acid?
The canonical SMILES for 3-methyl-2-[[3-(trifluoromethyl)benzoyl]amino]pentanoic acid is CCC(C)C(NC(=O)c1cccc(C(F)(F)F)c1)C(=O)O.
What is the InChIKey of 3-methyl-2-[[3-(trifluoromethyl)benzoyl]amino]pentanoic acid?
The InChIKey is RZFPLKSOTMOMMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16F3NO3/c1-3-8(2)11(13(20)21)18-12(19)9-5-4-6-10(7-9)14(15,16)17/h4-8,11H,3H2,1-2H3,(H,18,19)(H,20,21).
What are the key properties of 3-methyl-2-[[3-(trifluoromethyl)benzoyl]amino]pentanoic acid?
3-methyl-2-[[3-(trifluoromethyl)benzoyl]amino]pentanoic acid has a molecular weight of 303.28 g/mol, XLogP of 2.93, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-2-[[3-(trifluoromethyl)benzoyl]amino]pentanoic acid is sourced from PubChem (CID 43079375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).