2-amino-3-[5-(trifluoromethyl)-2-pyridinyl]propanoic acid

C9H9F3N2O2 — CID 18705533

IUPAC2-amino-3-[5-(trifluoromethyl)-2-pyridinyl]propanoic acid
SMILESNC(Cc1ccc(C(F)(F)F)cn1)C(=O)O
InChIInChI=1S/C9H9F3N2O2/c10-9(11,12)5-1-2-6(14-4-5)3-7(13)8(15)16/h1-2,4,7H,3,13H2,(H,15,16)
InChIKeyPZPJHHBISUXRTK-UHFFFAOYSA-N
MW234.18 g/mol
LogP1.05
Rot. Bonds3

About 2-amino-3-[5-(trifluoromethyl)-2-pyridinyl]propanoic acid

2-amino-3-[5-(trifluoromethyl)-2-pyridinyl]propanoic acid (PubChem CID 18705533) has the molecular formula C9H9F3N2O2 and a molecular weight of 234.18 g/mol. Its IUPAC name is 2-amino-3-[5-(trifluoromethyl)-2-pyridinyl]propanoic acid.

Molecular Properties

Compound Name2-amino-3-[5-(trifluoromethyl)-2-pyridinyl]propanoic acid
PubChem CID18705533
Molecular FormulaC9H9F3N2O2
Molecular Weight234.18 g/mol
Exact Mass234.06
IUPAC Name2-amino-3-[5-(trifluoromethyl)-2-pyridinyl]propanoic acid
SMILESNC(Cc1ccc(C(F)(F)F)cn1)C(=O)O
InChIInChI=1S/C9H9F3N2O2/c10-9(11,12)5-1-2-6(14-4-5)3-7(13)8(15)16/h1-2,4,7H,3,13H2,(H,15,16)
InChIKeyPZPJHHBISUXRTK-UHFFFAOYSA-N
XLogP1.05
TPSA76.21 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.18
LogP ≤ 51.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

CID 7009701
CID 7009701
CID 13811
CID 13811
CID 114
CID 114
CID 152953
CID 152953
CID 564292
CID 564292
CID 115108
CID 115108
CID 12904539
CID 12904539
CID 131841551
CID 131841551
CID 3606547
CID 3606547
CID 28924889
CID 28924889
CID 12904548
CID 12904548
CID 12904561
CID 12904561

Frequently Asked Questions

What is the IUPAC name of 2-amino-3-[5-(trifluoromethyl)-2-pyridinyl]propanoic acid?
The IUPAC name of 2-amino-3-[5-(trifluoromethyl)-2-pyridinyl]propanoic acid (CID 18705533) is 2-amino-3-[5-(trifluoromethyl)-2-pyridinyl]propanoic acid.
What is the SMILES notation for 2-amino-3-[5-(trifluoromethyl)-2-pyridinyl]propanoic acid?
The canonical SMILES for 2-amino-3-[5-(trifluoromethyl)-2-pyridinyl]propanoic acid is NC(Cc1ccc(C(F)(F)F)cn1)C(=O)O.
What is the InChIKey of 2-amino-3-[5-(trifluoromethyl)-2-pyridinyl]propanoic acid?
The InChIKey is PZPJHHBISUXRTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9F3N2O2/c10-9(11,12)5-1-2-6(14-4-5)3-7(13)8(15)16/h1-2,4,7H,3,13H2,(H,15,16).
What are the key properties of 2-amino-3-[5-(trifluoromethyl)-2-pyridinyl]propanoic acid?
2-amino-3-[5-(trifluoromethyl)-2-pyridinyl]propanoic acid has a molecular weight of 234.18 g/mol, XLogP of 1.05, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-[5-(trifluoromethyl)-2-pyridinyl]propanoic acid is sourced from PubChem (CID 18705533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).