2-amino-3,3,3-trifluoro-2-(2-methoxy-3,4-dimethylphenyl)propanoic acid

C12H14F3NO3 — CID 103434282

IUPAC2-amino-3,3,3-trifluoro-2-(2-methoxy-3,4-dimethylphenyl)propanoic acid
SMILESCOc1c(C(N)(C(=O)O)C(F)(F)F)ccc(C)c1C
InChIInChI=1S/C12H14F3NO3/c1-6-4-5-8(9(19-3)7(6)2)11(16,10(17)18)12(13,14)15/h4-5H,16H2,1-3H3,(H,17,18)
InChIKeyKCKSKGNQCRWRPB-UHFFFAOYSA-N
MW277.24 g/mol
LogP2.11
Rot. Bonds3

About 2-amino-3,3,3-trifluoro-2-(2-methoxy-3,4-dimethylphenyl)propanoic acid

2-amino-3,3,3-trifluoro-2-(2-methoxy-3,4-dimethylphenyl)propanoic acid (PubChem CID 103434282) has the molecular formula C12H14F3NO3 and a molecular weight of 277.24 g/mol. Its IUPAC name is 2-amino-3,3,3-trifluoro-2-(2-methoxy-3,4-dimethylphenyl)propanoic acid.

Molecular Properties

Compound Name2-amino-3,3,3-trifluoro-2-(2-methoxy-3,4-dimethylphenyl)propanoic acid
PubChem CID103434282
Molecular FormulaC12H14F3NO3
Molecular Weight277.24 g/mol
Exact Mass277.09
IUPAC Name2-amino-3,3,3-trifluoro-2-(2-methoxy-3,4-dimethylphenyl)propanoic acid
SMILESCOc1c(C(N)(C(=O)O)C(F)(F)F)ccc(C)c1C
InChIInChI=1S/C12H14F3NO3/c1-6-4-5-8(9(19-3)7(6)2)11(16,10(17)18)12(13,14)15/h4-5H,16H2,1-3H3,(H,17,18)
InChIKeyKCKSKGNQCRWRPB-UHFFFAOYSA-N
XLogP2.11
TPSA72.55 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.24
LogP ≤ 52.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-amino-3,3,3-trifluoro-2-(2-methoxy-3,4-dimethylphenyl)propanoic acid?
The IUPAC name of 2-amino-3,3,3-trifluoro-2-(2-methoxy-3,4-dimethylphenyl)propanoic acid (CID 103434282) is 2-amino-3,3,3-trifluoro-2-(2-methoxy-3,4-dimethylphenyl)propanoic acid.
What is the SMILES notation for 2-amino-3,3,3-trifluoro-2-(2-methoxy-3,4-dimethylphenyl)propanoic acid?
The canonical SMILES for 2-amino-3,3,3-trifluoro-2-(2-methoxy-3,4-dimethylphenyl)propanoic acid is COc1c(C(N)(C(=O)O)C(F)(F)F)ccc(C)c1C.
What is the InChIKey of 2-amino-3,3,3-trifluoro-2-(2-methoxy-3,4-dimethylphenyl)propanoic acid?
The InChIKey is KCKSKGNQCRWRPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14F3NO3/c1-6-4-5-8(9(19-3)7(6)2)11(16,10(17)18)12(13,14)15/h4-5H,16H2,1-3H3,(H,17,18).
What are the key properties of 2-amino-3,3,3-trifluoro-2-(2-methoxy-3,4-dimethylphenyl)propanoic acid?
2-amino-3,3,3-trifluoro-2-(2-methoxy-3,4-dimethylphenyl)propanoic acid has a molecular weight of 277.24 g/mol, XLogP of 2.11, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3,3,3-trifluoro-2-(2-methoxy-3,4-dimethylphenyl)propanoic acid is sourced from PubChem (CID 103434282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).