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

C13H14F3NO3 — CID 95359045

IUPAC(4R)-4-[[2-(trifluoromethyl)benzoyl]amino]pentanoic acid
SMILESC[C@H](CCC(=O)O)NC(=O)c1ccccc1C(F)(F)F
InChIInChI=1S/C13H14F3NO3/c1-8(6-7-11(18)19)17-12(20)9-4-2-3-5-10(9)13(14,15)16/h2-5,8H,6-7H2,1H3,(H,17,20)(H,18,19)/t8-/m1/s1
InChIKeyHZYBTBPXKBFBPE-MRVPVSSYSA-N
MW289.25 g/mol
LogP2.69
Rot. Bonds5

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

(4R)-4-[[2-(trifluoromethyl)benzoyl]amino]pentanoic acid (PubChem CID 95359045) has the molecular formula C13H14F3NO3 and a molecular weight of 289.25 g/mol. Its IUPAC name is (4R)-4-[[2-(trifluoromethyl)benzoyl]amino]pentanoic acid.

Molecular Properties

Compound Name(4R)-4-[[2-(trifluoromethyl)benzoyl]amino]pentanoic acid
PubChem CID95359045
Molecular FormulaC13H14F3NO3
Molecular Weight289.25 g/mol
Exact Mass289.09
IUPAC Name(4R)-4-[[2-(trifluoromethyl)benzoyl]amino]pentanoic acid
SMILESC[C@H](CCC(=O)O)NC(=O)c1ccccc1C(F)(F)F
InChIInChI=1S/C13H14F3NO3/c1-8(6-7-11(18)19)17-12(20)9-4-2-3-5-10(9)13(14,15)16/h2-5,8H,6-7H2,1H3,(H,17,20)(H,18,19)/t8-/m1/s1
InChIKeyHZYBTBPXKBFBPE-MRVPVSSYSA-N
XLogP2.69
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.25
LogP ≤ 52.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(2R)-pentan-2-yl]-2-(trifluoromethyl)benzamide
CID 92850424
4-methyl-5-[[2-(trifluoromethyl)benzoyl]amino]pentanoic acid
CID 82009837
5-[(2-tert-butylbenzoyl)amino]hexanoic acid
CID 82845775
(2R)-3-methyl-2-[[2-(trifluoromethyl)benzoyl]amino]butanoic acid
CID 30048340
3-[propan-2-yl-[2-(trifluoromethyl)benzoyl]amino]propanoic acid
CID 60830546
3-hydroxy-2-[[2-(trifluoromethyl)benzoyl]amino]butanoic acid
CID 16776421
4-[3-[[2-(trifluoromethyl)benzoyl]amino]phenoxy]pentanoic acid
CID 86195732
5-[(2-fluorobenzoyl)amino]hexanoic acid
CID 82855274
N-[(1R)-2-hydroxy-1-phenylethyl]-2-(trifluoromethyl)benzamide
CID 40548744
N-(1-aminopentan-3-yl)-2-(trifluoromethyl)benzamide
CID 62651047
N-butan-2-yl-2-fluoro-3-(trifluoromethyl)benzamide
CID 79885795
N-[(2S)-1-(1-benzofuran-2-yl)propan-2-yl]-2-(trifluoromethyl)benzamide
CID 124759381

Frequently Asked Questions

What is the IUPAC name of (4R)-4-[[2-(trifluoromethyl)benzoyl]amino]pentanoic acid?
The IUPAC name of (4R)-4-[[2-(trifluoromethyl)benzoyl]amino]pentanoic acid (CID 95359045) is (4R)-4-[[2-(trifluoromethyl)benzoyl]amino]pentanoic acid.
What is the SMILES notation for (4R)-4-[[2-(trifluoromethyl)benzoyl]amino]pentanoic acid?
The canonical SMILES for (4R)-4-[[2-(trifluoromethyl)benzoyl]amino]pentanoic acid is C[C@H](CCC(=O)O)NC(=O)c1ccccc1C(F)(F)F.
What is the InChIKey of (4R)-4-[[2-(trifluoromethyl)benzoyl]amino]pentanoic acid?
The InChIKey is HZYBTBPXKBFBPE-MRVPVSSYSA-N. The full InChI is InChI=1S/C13H14F3NO3/c1-8(6-7-11(18)19)17-12(20)9-4-2-3-5-10(9)13(14,15)16/h2-5,8H,6-7H2,1H3,(H,17,20)(H,18,19)/t8-/m1/s1.
What are the key properties of (4R)-4-[[2-(trifluoromethyl)benzoyl]amino]pentanoic acid?
(4R)-4-[[2-(trifluoromethyl)benzoyl]amino]pentanoic acid has a molecular weight of 289.25 g/mol, XLogP of 2.69, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-4-[[2-(trifluoromethyl)benzoyl]amino]pentanoic acid is sourced from PubChem (CID 95359045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).