(2R)-2-[[2-fluoro-5-(trifluoromethyl)benzoyl]amino]-4-methylpentanoic acid

C14H15F4NO3 — CID 119363874

IUPAC(2R)-2-[[2-fluoro-5-(trifluoromethyl)benzoyl]amino]-4-methylpentanoic acid
SMILESCC(C)C[C@@H](NC(=O)c1cc(C(F)(F)F)ccc1F)C(=O)O
InChIInChI=1S/C14H15F4NO3/c1-7(2)5-11(13(21)22)19-12(20)9-6-8(14(16,17)18)3-4-10(9)15/h3-4,6-7,11H,5H2,1-2H3,(H,19,20)(H,21,22)/t11-/m1/s1
InChIKeyVJBULSBMHNIJBC-LLVKDONJSA-N
MW321.27 g/mol
LogP3.07
Rot. Bonds5

About (2R)-2-[[2-fluoro-5-(trifluoromethyl)benzoyl]amino]-4-methylpentanoic acid

(2R)-2-[[2-fluoro-5-(trifluoromethyl)benzoyl]amino]-4-methylpentanoic acid (PubChem CID 119363874) has the molecular formula C14H15F4NO3 and a molecular weight of 321.27 g/mol. Its IUPAC name is (2R)-2-[[2-fluoro-5-(trifluoromethyl)benzoyl]amino]-4-methylpentanoic acid.

Molecular Properties

Compound Name(2R)-2-[[2-fluoro-5-(trifluoromethyl)benzoyl]amino]-4-methylpentanoic acid
PubChem CID119363874
Molecular FormulaC14H15F4NO3
Molecular Weight321.27 g/mol
Exact Mass321.10
IUPAC Name(2R)-2-[[2-fluoro-5-(trifluoromethyl)benzoyl]amino]-4-methylpentanoic acid
SMILESCC(C)C[C@@H](NC(=O)c1cc(C(F)(F)F)ccc1F)C(=O)O
InChIInChI=1S/C14H15F4NO3/c1-7(2)5-11(13(21)22)19-12(20)9-6-8(14(16,17)18)3-4-10(9)15/h3-4,6-7,11H,5H2,1-2H3,(H,19,20)(H,21,22)/t11-/m1/s1
InChIKeyVJBULSBMHNIJBC-LLVKDONJSA-N
XLogP3.07
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.27
LogP ≤ 53.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-2-[[2-fluoro-5-(trifluoromethyl)benzoyl]amino]-4-hydroxybutanoic acid
CID 107821699
(2R)-2-[(5-acetamido-2-fluorobenzoyl)amino]-4-methylpentanoic acid
CID 119363829
2-fluoro-N-(3-methylbutan-2-yl)-5-(trifluoromethyl)benzamide
CID 18712129
(2S)-2-[(2-fluoro-5-nitrobenzoyl)amino]-4-methylpentanoic acid
CID 61137775
2-fluoro-N-(1-iodo-3-methylbutan-2-yl)-5-(trifluoromethyl)benzamide
CID 107859943
(2R)-2-[(3,4-difluorobenzoyl)amino]-4-methylpentanoic acid
CID 42256010
(2R)-2-[(4,5-difluoro-2-iodobenzoyl)amino]-4-methylpentanoic acid
CID 119364479
N-(4-ethylsulfanylbutan-2-yl)-2-fluoro-5-(trifluoromethyl)benzamide
CID 115697220
(2S)-4-methyl-2-[[4-(trifluoromethyl)phenyl]carbamoylamino]pentanoic acid
CID 71569670
2-[(5-chloro-2-hydroxybenzoyl)amino]-4-methylpentanoic acid
CID 43185166
2-[(4-chloro-2-hydroxybenzoyl)amino]-4-methylpentanoic acid
CID 43185164
(2R)-2-[(4-fluorobenzoyl)amino]-4-methylpentanoic acid
CID 2451208

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[[2-fluoro-5-(trifluoromethyl)benzoyl]amino]-4-methylpentanoic acid?
The IUPAC name of (2R)-2-[[2-fluoro-5-(trifluoromethyl)benzoyl]amino]-4-methylpentanoic acid (CID 119363874) is (2R)-2-[[2-fluoro-5-(trifluoromethyl)benzoyl]amino]-4-methylpentanoic acid.
What is the SMILES notation for (2R)-2-[[2-fluoro-5-(trifluoromethyl)benzoyl]amino]-4-methylpentanoic acid?
The canonical SMILES for (2R)-2-[[2-fluoro-5-(trifluoromethyl)benzoyl]amino]-4-methylpentanoic acid is CC(C)C[C@@H](NC(=O)c1cc(C(F)(F)F)ccc1F)C(=O)O.
What is the InChIKey of (2R)-2-[[2-fluoro-5-(trifluoromethyl)benzoyl]amino]-4-methylpentanoic acid?
The InChIKey is VJBULSBMHNIJBC-LLVKDONJSA-N. The full InChI is InChI=1S/C14H15F4NO3/c1-7(2)5-11(13(21)22)19-12(20)9-6-8(14(16,17)18)3-4-10(9)15/h3-4,6-7,11H,5H2,1-2H3,(H,19,20)(H,21,22)/t11-/m1/s1.
What are the key properties of (2R)-2-[[2-fluoro-5-(trifluoromethyl)benzoyl]amino]-4-methylpentanoic acid?
(2R)-2-[[2-fluoro-5-(trifluoromethyl)benzoyl]amino]-4-methylpentanoic acid has a molecular weight of 321.27 g/mol, XLogP of 3.07, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[[2-fluoro-5-(trifluoromethyl)benzoyl]amino]-4-methylpentanoic acid is sourced from PubChem (CID 119363874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).