2-amino-3-[2-(difluoromethyl)-3-pyridinyl]propanoic acid

C9H10F2N2O2 — CID 84681612

IUPAC2-amino-3-[2-(difluoromethyl)-3-pyridinyl]propanoic acid
SMILESNC(Cc1cccnc1C(F)F)C(=O)O
InChIInChI=1S/C9H10F2N2O2/c10-8(11)7-5(2-1-3-13-7)4-6(12)9(14)15/h1-3,6,8H,4,12H2,(H,14,15)
InChIKeyVKNMLFXTILTGCO-UHFFFAOYSA-N
MW216.19 g/mol
LogP0.97
Rot. Bonds4

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

2-amino-3-[2-(difluoromethyl)-3-pyridinyl]propanoic acid (PubChem CID 84681612) has the molecular formula C9H10F2N2O2 and a molecular weight of 216.19 g/mol. Its IUPAC name is 2-amino-3-[2-(difluoromethyl)-3-pyridinyl]propanoic acid.

Molecular Properties

Compound Name2-amino-3-[2-(difluoromethyl)-3-pyridinyl]propanoic acid
PubChem CID84681612
Molecular FormulaC9H10F2N2O2
Molecular Weight216.19 g/mol
Exact Mass216.07
IUPAC Name2-amino-3-[2-(difluoromethyl)-3-pyridinyl]propanoic acid
SMILESNC(Cc1cccnc1C(F)F)C(=O)O
InChIInChI=1S/C9H10F2N2O2/c10-8(11)7-5(2-1-3-13-7)4-6(12)9(14)15/h1-3,6,8H,4,12H2,(H,14,15)
InChIKeyVKNMLFXTILTGCO-UHFFFAOYSA-N
XLogP0.97
TPSA76.21 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.19
LogP ≤ 50.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-3-(2-chloro-3-pyridinyl)propanoic acid
CID 22326364
(2R)-2-amino-3-(2-cyano-3-pyridinyl)propanoic acid
CID 127019845
2-amino-3-(2-ethoxy-3-pyridinyl)propanoic acid
CID 170879502
2-amino-3-[3-(2-fluoroethyl)-2-pyridinyl]propanoic acid
CID 69488505
ethyl 2-[2-(difluoromethyl)-3-pyridinyl]acetate
CID 134663371
2-amino-3-[2-(fluoromethyl)phenyl]propanoic acid
CID 18439515
(2S)-2-amino-3-(2-fluorophenyl)propanoic acid
CID 716319
2-amino-3-(2-quinolin-5-ylphenyl)propanoic acid
CID 154976329
2-amino-3-furo[2,3-b]pyridin-3-ylpropanoic acid
CID 84778964
bis(2-amino-3-(2-fluorophenyl)propanoic acid);hydrate
CID 78291296
2-amino-3-(3-methyl-2-pyridinyl)propanoic acid
CID 3379209
2-amino-3-(8-hydroxyquinolin-5-yl)propanoic acid;dihydrochloride
CID 154727412

Frequently Asked Questions

What is the IUPAC name of 2-amino-3-[2-(difluoromethyl)-3-pyridinyl]propanoic acid?
The IUPAC name of 2-amino-3-[2-(difluoromethyl)-3-pyridinyl]propanoic acid (CID 84681612) is 2-amino-3-[2-(difluoromethyl)-3-pyridinyl]propanoic acid.
What is the SMILES notation for 2-amino-3-[2-(difluoromethyl)-3-pyridinyl]propanoic acid?
The canonical SMILES for 2-amino-3-[2-(difluoromethyl)-3-pyridinyl]propanoic acid is NC(Cc1cccnc1C(F)F)C(=O)O.
What is the InChIKey of 2-amino-3-[2-(difluoromethyl)-3-pyridinyl]propanoic acid?
The InChIKey is VKNMLFXTILTGCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10F2N2O2/c10-8(11)7-5(2-1-3-13-7)4-6(12)9(14)15/h1-3,6,8H,4,12H2,(H,14,15).
What are the key properties of 2-amino-3-[2-(difluoromethyl)-3-pyridinyl]propanoic acid?
2-amino-3-[2-(difluoromethyl)-3-pyridinyl]propanoic acid has a molecular weight of 216.19 g/mol, XLogP of 0.97, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-[2-(difluoromethyl)-3-pyridinyl]propanoic acid is sourced from PubChem (CID 84681612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).