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

C11H10F3NO4 — CID 120526943

IUPAC(2R)-2-[[3-(trifluoromethoxy)benzoyl]amino]propanoic acid
SMILESC[C@@H](NC(=O)c1cccc(OC(F)(F)F)c1)C(=O)O
InChIInChI=1S/C11H10F3NO4/c1-6(10(17)18)15-9(16)7-3-2-4-8(5-7)19-11(12,13)14/h2-6H,1H3,(H,15,16)(H,17,18)/t6-/m1/s1
InChIKeyFEVWLTFTXXGMBV-ZCFIWIBFSA-N
MW277.20 g/mol
LogP1.79
Rot. Bonds4

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

(2R)-2-[[3-(trifluoromethoxy)benzoyl]amino]propanoic acid (PubChem CID 120526943) has the molecular formula C11H10F3NO4 and a molecular weight of 277.20 g/mol. Its IUPAC name is (2R)-2-[[3-(trifluoromethoxy)benzoyl]amino]propanoic acid.

Molecular Properties

Compound Name(2R)-2-[[3-(trifluoromethoxy)benzoyl]amino]propanoic acid
PubChem CID120526943
Molecular FormulaC11H10F3NO4
Molecular Weight277.20 g/mol
Exact Mass277.06
IUPAC Name(2R)-2-[[3-(trifluoromethoxy)benzoyl]amino]propanoic acid
SMILESC[C@@H](NC(=O)c1cccc(OC(F)(F)F)c1)C(=O)O
InChIInChI=1S/C11H10F3NO4/c1-6(10(17)18)15-9(16)7-3-2-4-8(5-7)19-11(12,13)14/h2-6H,1H3,(H,15,16)(H,17,18)/t6-/m1/s1
InChIKeyFEVWLTFTXXGMBV-ZCFIWIBFSA-N
XLogP1.79
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.20
LogP ≤ 51.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-[[3-(trifluoromethoxy)benzoyl]amino]propanoic acid
CID 120525960
(2S)-2-[(3-methoxybenzoyl)amino]propanoic acid
CID 42254442
(2S)-2-[[3-[[(1S)-1-carboxyethyl]carbamoyl]benzoyl]amino]propanoic acid
CID 40571628
N-[(1S)-2-hydroxy-1-phenylethyl]-3-(trifluoromethoxy)benzamide
CID 110001668
(2R)-2-[(3-hydroxybenzoyl)amino]propanoic acid
CID 20848017
(2S)-2-[[3-(3-methylbut-2-enoxy)benzoyl]amino]propanoic acid
CID 119238437
3-(difluoromethoxy)-N-propan-2-ylbenzamide
CID 60634617
N-benzyl-3-(trifluoromethoxy)benzamide
CID 175307745
(2S)-2-[[3-[[3-[[(1S)-1-carboxyethyl]carbamoyl]phenyl]diazenyl]benzoyl]amino]propanoic acid
CID 102421825
(2R)-2-[3-(trifluoromethoxy)phenyl]propanoic acid
CID 175718270
(2R)-2-[[3-(difluoromethoxy)benzoyl]amino]-3,3-dimethylbutanoic acid
CID 103926956
N-[2-phenyl-1,1-bis[3-(trifluoromethoxy)phenyl]propyl]benzamide
CID 140515148

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[[3-(trifluoromethoxy)benzoyl]amino]propanoic acid?
The IUPAC name of (2R)-2-[[3-(trifluoromethoxy)benzoyl]amino]propanoic acid (CID 120526943) is (2R)-2-[[3-(trifluoromethoxy)benzoyl]amino]propanoic acid.
What is the SMILES notation for (2R)-2-[[3-(trifluoromethoxy)benzoyl]amino]propanoic acid?
The canonical SMILES for (2R)-2-[[3-(trifluoromethoxy)benzoyl]amino]propanoic acid is C[C@@H](NC(=O)c1cccc(OC(F)(F)F)c1)C(=O)O.
What is the InChIKey of (2R)-2-[[3-(trifluoromethoxy)benzoyl]amino]propanoic acid?
The InChIKey is FEVWLTFTXXGMBV-ZCFIWIBFSA-N. The full InChI is InChI=1S/C11H10F3NO4/c1-6(10(17)18)15-9(16)7-3-2-4-8(5-7)19-11(12,13)14/h2-6H,1H3,(H,15,16)(H,17,18)/t6-/m1/s1.
What are the key properties of (2R)-2-[[3-(trifluoromethoxy)benzoyl]amino]propanoic acid?
(2R)-2-[[3-(trifluoromethoxy)benzoyl]amino]propanoic acid has a molecular weight of 277.20 g/mol, XLogP of 1.79, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[[3-(trifluoromethoxy)benzoyl]amino]propanoic acid is sourced from PubChem (CID 120526943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).