2-amino-3,3,3-trifluoro-2-(pyridin-2-ylmethyl)propanoic acid

C9H9F3N2O2 — CID 14203812

IUPAC2-amino-3,3,3-trifluoro-2-(pyridin-2-ylmethyl)propanoic acid
SMILESNC(Cc1ccccn1)(C(=O)O)C(F)(F)F
InChIInChI=1S/C9H9F3N2O2/c10-9(11,12)8(13,7(15)16)5-6-3-1-2-4-14-6/h1-4H,5,13H2,(H,15,16)
InChIKeyMGOHCLBIDJWZTJ-UHFFFAOYSA-N
MW234.18 g/mol
LogP0.97
Rot. Bonds3

About 2-amino-3,3,3-trifluoro-2-(pyridin-2-ylmethyl)propanoic acid

2-amino-3,3,3-trifluoro-2-(pyridin-2-ylmethyl)propanoic acid (PubChem CID 14203812) has the molecular formula C9H9F3N2O2 and a molecular weight of 234.18 g/mol. Its IUPAC name is 2-amino-3,3,3-trifluoro-2-(pyridin-2-ylmethyl)propanoic acid.

Molecular Properties

Compound Name2-amino-3,3,3-trifluoro-2-(pyridin-2-ylmethyl)propanoic acid
PubChem CID14203812
Molecular FormulaC9H9F3N2O2
Molecular Weight234.18 g/mol
Exact Mass234.06
IUPAC Name2-amino-3,3,3-trifluoro-2-(pyridin-2-ylmethyl)propanoic acid
SMILESNC(Cc1ccccn1)(C(=O)O)C(F)(F)F
InChIInChI=1S/C9H9F3N2O2/c10-9(11,12)8(13,7(15)16)5-6-3-1-2-4-14-6/h1-4H,5,13H2,(H,15,16)
InChIKeyMGOHCLBIDJWZTJ-UHFFFAOYSA-N
XLogP0.97
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 ≤ 50.97
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-(pyridin-2-ylmethyl)propanoic acid?
The IUPAC name of 2-amino-3,3,3-trifluoro-2-(pyridin-2-ylmethyl)propanoic acid (CID 14203812) is 2-amino-3,3,3-trifluoro-2-(pyridin-2-ylmethyl)propanoic acid.
What is the SMILES notation for 2-amino-3,3,3-trifluoro-2-(pyridin-2-ylmethyl)propanoic acid?
The canonical SMILES for 2-amino-3,3,3-trifluoro-2-(pyridin-2-ylmethyl)propanoic acid is NC(Cc1ccccn1)(C(=O)O)C(F)(F)F.
What is the InChIKey of 2-amino-3,3,3-trifluoro-2-(pyridin-2-ylmethyl)propanoic acid?
The InChIKey is MGOHCLBIDJWZTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9F3N2O2/c10-9(11,12)8(13,7(15)16)5-6-3-1-2-4-14-6/h1-4H,5,13H2,(H,15,16).
What are the key properties of 2-amino-3,3,3-trifluoro-2-(pyridin-2-ylmethyl)propanoic acid?
2-amino-3,3,3-trifluoro-2-(pyridin-2-ylmethyl)propanoic acid has a molecular weight of 234.18 g/mol, XLogP of 0.97, 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-(pyridin-2-ylmethyl)propanoic acid is sourced from PubChem (CID 14203812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).