(2R)-3-hydroxy-2-[[2-[4-(trifluoromethyl)phenyl]acetyl]amino]propanoic acid

C12H12F3NO4 — CID 80751533

IUPAC(2R)-3-hydroxy-2-[[2-[4-(trifluoromethyl)phenyl]acetyl]amino]propanoic acid
SMILESO=C(Cc1ccc(C(F)(F)F)cc1)N[C@H](CO)C(=O)O
InChIInChI=1S/C12H12F3NO4/c13-12(14,15)8-3-1-7(2-4-8)5-10(18)16-9(6-17)11(19)20/h1-4,9,17H,5-6H2,(H,16,18)(H,19,20)/t9-/m1/s1
InChIKeyGSYPYGBTAPFGBA-SECBINFHSA-N
MW291.23 g/mol
LogP0.81
Rot. Bonds5

About (2R)-3-hydroxy-2-[[2-[4-(trifluoromethyl)phenyl]acetyl]amino]propanoic acid

(2R)-3-hydroxy-2-[[2-[4-(trifluoromethyl)phenyl]acetyl]amino]propanoic acid (PubChem CID 80751533) has the molecular formula C12H12F3NO4 and a molecular weight of 291.23 g/mol. Its IUPAC name is (2R)-3-hydroxy-2-[[2-[4-(trifluoromethyl)phenyl]acetyl]amino]propanoic acid.

Molecular Properties

Compound Name(2R)-3-hydroxy-2-[[2-[4-(trifluoromethyl)phenyl]acetyl]amino]propanoic acid
PubChem CID80751533
Molecular FormulaC12H12F3NO4
Molecular Weight291.23 g/mol
Exact Mass291.07
IUPAC Name(2R)-3-hydroxy-2-[[2-[4-(trifluoromethyl)phenyl]acetyl]amino]propanoic acid
SMILESO=C(Cc1ccc(C(F)(F)F)cc1)N[C@H](CO)C(=O)O
InChIInChI=1S/C12H12F3NO4/c13-12(14,15)8-3-1-7(2-4-8)5-10(18)16-9(6-17)11(19)20/h1-4,9,17H,5-6H2,(H,16,18)(H,19,20)/t9-/m1/s1
InChIKeyGSYPYGBTAPFGBA-SECBINFHSA-N
XLogP0.81
TPSA86.63 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.23
LogP ≤ 50.81
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-(1-bromopropan-2-yl)-2-[4-(trifluoromethyl)phenyl]acetamide
CID 114310617
2-phenyl-2-[[2-[4-(trifluoromethyl)phenyl]acetyl]amino]acetamide
CID 51315384
methyl 2-[[2-[4-(trifluoromethyl)phenyl]acetyl]amino]propanoate
CID 60700981
(2R)-2-[[2-chloro-5-(trifluoromethyl)phenyl]carbamoylamino]-3-hydroxypropanoic acid
CID 80756053
(2R)-3-hydroxy-2-[[2-(3-hydroxyphenyl)acetyl]amino]propanoic acid
CID 80749726
N-(1-amino-3-methylbutan-2-yl)-2-[4-(trifluoromethyl)phenyl]acetamide
CID 65191111
3-oxo-4-[4-(trifluoromethyl)phenyl]butanoic acid
CID 53443936
(2S)-4-hydroxy-2-[[4-(trifluoromethyl)benzoyl]amino]butanoic acid
CID 107821860
(2S)-2-(ethylamino)-3-[4-(trifluoromethyl)phenyl]propanoic acid
CID 175779531
methyl 3-hydroxy-2-[[2-[3-(trifluoromethyl)phenyl]acetyl]amino]propanoate
CID 43405710
N-(1-pyridin-4-ylethyl)-2-[4-(trifluoromethyl)phenyl]acetamide
CID 51272046
(2S)-3-hydroxy-2-[[1-[[4-(trifluoromethyl)phenyl]methoxy]naphthalene-2-carbonyl]amino]propanoic acid
CID 168751650

Frequently Asked Questions

What is the IUPAC name of (2R)-3-hydroxy-2-[[2-[4-(trifluoromethyl)phenyl]acetyl]amino]propanoic acid?
The IUPAC name of (2R)-3-hydroxy-2-[[2-[4-(trifluoromethyl)phenyl]acetyl]amino]propanoic acid (CID 80751533) is (2R)-3-hydroxy-2-[[2-[4-(trifluoromethyl)phenyl]acetyl]amino]propanoic acid.
What is the SMILES notation for (2R)-3-hydroxy-2-[[2-[4-(trifluoromethyl)phenyl]acetyl]amino]propanoic acid?
The canonical SMILES for (2R)-3-hydroxy-2-[[2-[4-(trifluoromethyl)phenyl]acetyl]amino]propanoic acid is O=C(Cc1ccc(C(F)(F)F)cc1)N[C@H](CO)C(=O)O.
What is the InChIKey of (2R)-3-hydroxy-2-[[2-[4-(trifluoromethyl)phenyl]acetyl]amino]propanoic acid?
The InChIKey is GSYPYGBTAPFGBA-SECBINFHSA-N. The full InChI is InChI=1S/C12H12F3NO4/c13-12(14,15)8-3-1-7(2-4-8)5-10(18)16-9(6-17)11(19)20/h1-4,9,17H,5-6H2,(H,16,18)(H,19,20)/t9-/m1/s1.
What are the key properties of (2R)-3-hydroxy-2-[[2-[4-(trifluoromethyl)phenyl]acetyl]amino]propanoic acid?
(2R)-3-hydroxy-2-[[2-[4-(trifluoromethyl)phenyl]acetyl]amino]propanoic acid has a molecular weight of 291.23 g/mol, XLogP of 0.81, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-3-hydroxy-2-[[2-[4-(trifluoromethyl)phenyl]acetyl]amino]propanoic acid is sourced from PubChem (CID 80751533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).