(2R)-3-phenyl-2-[[3-(trifluoromethyl)benzoyl]amino]propanoic acid

C17H14F3NO3 — CID 9437907

IUPAC(2R)-3-phenyl-2-[[3-(trifluoromethyl)benzoyl]amino]propanoic acid
SMILESO=C(N[C@H](Cc1ccccc1)C(=O)O)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C17H14F3NO3/c18-17(19,20)13-8-4-7-12(10-13)15(22)21-14(16(23)24)9-11-5-2-1-3-6-11/h1-8,10,14H,9H2,(H,21,22)(H,23,24)/t14-/m1/s1
InChIKeyWEORYTOWYZKZHP-CQSZACIVSA-N
MW337.30 g/mol
LogP3.13
Rot. Bonds5

About (2R)-3-phenyl-2-[[3-(trifluoromethyl)benzoyl]amino]propanoic acid

(2R)-3-phenyl-2-[[3-(trifluoromethyl)benzoyl]amino]propanoic acid (PubChem CID 9437907) has the molecular formula C17H14F3NO3 and a molecular weight of 337.30 g/mol. Its IUPAC name is (2R)-3-phenyl-2-[[3-(trifluoromethyl)benzoyl]amino]propanoic acid.

Molecular Properties

Compound Name(2R)-3-phenyl-2-[[3-(trifluoromethyl)benzoyl]amino]propanoic acid
PubChem CID9437907
Molecular FormulaC17H14F3NO3
Molecular Weight337.30 g/mol
Exact Mass337.09
IUPAC Name(2R)-3-phenyl-2-[[3-(trifluoromethyl)benzoyl]amino]propanoic acid
SMILESO=C(N[C@H](Cc1ccccc1)C(=O)O)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C17H14F3NO3/c18-17(19,20)13-8-4-7-12(10-13)15(22)21-14(16(23)24)9-11-5-2-1-3-6-11/h1-8,10,14H,9H2,(H,21,22)(H,23,24)/t14-/m1/s1
InChIKeyWEORYTOWYZKZHP-CQSZACIVSA-N
XLogP3.13
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.30
LogP ≤ 53.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-3-(4-phenylphenyl)-2-[[4-[3-(trifluoromethyl)phenyl]benzoyl]amino]propanoic acid
CID 58718027
2-[[3-(trifluoromethyl)benzoyl]amino]butanoic acid
CID 43387176
(2S)-3-phenyl-2-[[3-(2-phenylethyl)benzoyl]amino]propanoic acid
CID 101236602
(2S)-2-[[4-[3,5-bis(trifluoromethyl)phenyl]benzoyl]amino]-3-(4-phenylphenyl)propanoic acid
CID 58717566
N-[(2S)-4-phenylbutan-2-yl]-3-(trifluoromethyl)benzamide
CID 2521792
(2R)-2-benzamido-3-(3-fluorophenyl)propanoic acid
CID 15679298
propan-2-yl 2-[[3-methyl-2-[[3-(trifluoromethyl)benzoyl]amino]butanoyl]amino]-3-phenylpropanoate
CID 5162329
N-benzhydryl-3-(trifluoromethyl)benzamide
CID 3549490
(2S)-2-[[3-[(4-acetylbenzoyl)amino]-5-[[3,5-bis(trifluoromethyl)benzoyl]amino]benzoyl]amino]-3-phenylpropanoic acid
CID 102122767
2-benzamido-3-phenylpropanoic acid;2-fluoroacetaldehyde
CID 131965188
N-[1-[[5-(3-chlorophenyl)-1,3,4-thiadiazol-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]-3-(trifluoromethyl)benzamide
CID 3631774
tert-butyl N-[3-phenyl-2-[[3-(trifluoromethyl)benzoyl]amino]propyl]carbamate
CID 123731336

Frequently Asked Questions

What is the IUPAC name of (2R)-3-phenyl-2-[[3-(trifluoromethyl)benzoyl]amino]propanoic acid?
The IUPAC name of (2R)-3-phenyl-2-[[3-(trifluoromethyl)benzoyl]amino]propanoic acid (CID 9437907) is (2R)-3-phenyl-2-[[3-(trifluoromethyl)benzoyl]amino]propanoic acid.
What is the SMILES notation for (2R)-3-phenyl-2-[[3-(trifluoromethyl)benzoyl]amino]propanoic acid?
The canonical SMILES for (2R)-3-phenyl-2-[[3-(trifluoromethyl)benzoyl]amino]propanoic acid is O=C(N[C@H](Cc1ccccc1)C(=O)O)c1cccc(C(F)(F)F)c1.
What is the InChIKey of (2R)-3-phenyl-2-[[3-(trifluoromethyl)benzoyl]amino]propanoic acid?
The InChIKey is WEORYTOWYZKZHP-CQSZACIVSA-N. The full InChI is InChI=1S/C17H14F3NO3/c18-17(19,20)13-8-4-7-12(10-13)15(22)21-14(16(23)24)9-11-5-2-1-3-6-11/h1-8,10,14H,9H2,(H,21,22)(H,23,24)/t14-/m1/s1.
What are the key properties of (2R)-3-phenyl-2-[[3-(trifluoromethyl)benzoyl]amino]propanoic acid?
(2R)-3-phenyl-2-[[3-(trifluoromethyl)benzoyl]amino]propanoic acid has a molecular weight of 337.30 g/mol, XLogP of 3.13, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-3-phenyl-2-[[3-(trifluoromethyl)benzoyl]amino]propanoic acid is sourced from PubChem (CID 9437907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).