2-amino-3-[4-(fluoromethyl)-2-pyridinyl]propanoic acid

C9H11FN2O2 — CID 18439521

IUPAC2-amino-3-[4-(fluoromethyl)-2-pyridinyl]propanoic acid
SMILESNC(Cc1cc(CF)ccn1)C(=O)O
InChIInChI=1S/C9H11FN2O2/c10-5-6-1-2-12-7(3-6)4-8(11)9(13)14/h1-3,8H,4-5,11H2,(H,13,14)
InChIKeyPBQZOPSWWLPWPF-UHFFFAOYSA-N
MW198.20 g/mol
LogP0.51
Rot. Bonds4

About 2-amino-3-[4-(fluoromethyl)-2-pyridinyl]propanoic acid

2-amino-3-[4-(fluoromethyl)-2-pyridinyl]propanoic acid (PubChem CID 18439521) has the molecular formula C9H11FN2O2 and a molecular weight of 198.20 g/mol. Its IUPAC name is 2-amino-3-[4-(fluoromethyl)-2-pyridinyl]propanoic acid.

Molecular Properties

Compound Name2-amino-3-[4-(fluoromethyl)-2-pyridinyl]propanoic acid
PubChem CID18439521
Molecular FormulaC9H11FN2O2
Molecular Weight198.20 g/mol
Exact Mass198.08
IUPAC Name2-amino-3-[4-(fluoromethyl)-2-pyridinyl]propanoic acid
SMILESNC(Cc1cc(CF)ccn1)C(=O)O
InChIInChI=1S/C9H11FN2O2/c10-5-6-1-2-12-7(3-6)4-8(11)9(13)14/h1-3,8H,4-5,11H2,(H,13,14)
InChIKeyPBQZOPSWWLPWPF-UHFFFAOYSA-N
XLogP0.51
TPSA76.21 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.20
LogP ≤ 50.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-amino-3-[4-(fluoromethyl)-2-pyridinyl]propanoic acid?
The IUPAC name of 2-amino-3-[4-(fluoromethyl)-2-pyridinyl]propanoic acid (CID 18439521) is 2-amino-3-[4-(fluoromethyl)-2-pyridinyl]propanoic acid.
What is the SMILES notation for 2-amino-3-[4-(fluoromethyl)-2-pyridinyl]propanoic acid?
The canonical SMILES for 2-amino-3-[4-(fluoromethyl)-2-pyridinyl]propanoic acid is NC(Cc1cc(CF)ccn1)C(=O)O.
What is the InChIKey of 2-amino-3-[4-(fluoromethyl)-2-pyridinyl]propanoic acid?
The InChIKey is PBQZOPSWWLPWPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11FN2O2/c10-5-6-1-2-12-7(3-6)4-8(11)9(13)14/h1-3,8H,4-5,11H2,(H,13,14).
What are the key properties of 2-amino-3-[4-(fluoromethyl)-2-pyridinyl]propanoic acid?
2-amino-3-[4-(fluoromethyl)-2-pyridinyl]propanoic acid has a molecular weight of 198.20 g/mol, XLogP of 0.51, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-[4-(fluoromethyl)-2-pyridinyl]propanoic acid is sourced from PubChem (CID 18439521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).