2-amino-3-[4-(1-fluoroethyl)-2-pyridinyl]propanoic acid

C10H13FN2O2 — CID 18439519

IUPAC2-amino-3-[4-(1-fluoroethyl)-2-pyridinyl]propanoic acid
SMILESCC(F)c1ccnc(CC(N)C(=O)O)c1
InChIInChI=1S/C10H13FN2O2/c1-6(11)7-2-3-13-8(4-7)5-9(12)10(14)15/h2-4,6,9H,5,12H2,1H3,(H,14,15)
InChIKeyKXKUZIFAJXBWAL-UHFFFAOYSA-N
MW212.22 g/mol
LogP1.07
Rot. Bonds4

About 2-amino-3-[4-(1-fluoroethyl)-2-pyridinyl]propanoic acid

2-amino-3-[4-(1-fluoroethyl)-2-pyridinyl]propanoic acid (PubChem CID 18439519) has the molecular formula C10H13FN2O2 and a molecular weight of 212.22 g/mol. Its IUPAC name is 2-amino-3-[4-(1-fluoroethyl)-2-pyridinyl]propanoic acid.

Molecular Properties

Compound Name2-amino-3-[4-(1-fluoroethyl)-2-pyridinyl]propanoic acid
PubChem CID18439519
Molecular FormulaC10H13FN2O2
Molecular Weight212.22 g/mol
Exact Mass212.10
IUPAC Name2-amino-3-[4-(1-fluoroethyl)-2-pyridinyl]propanoic acid
SMILESCC(F)c1ccnc(CC(N)C(=O)O)c1
InChIInChI=1S/C10H13FN2O2/c1-6(11)7-2-3-13-8(4-7)5-9(12)10(14)15/h2-4,6,9H,5,12H2,1H3,(H,14,15)
InChIKeyKXKUZIFAJXBWAL-UHFFFAOYSA-N
XLogP1.07
TPSA76.21 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.22
LogP ≤ 51.07
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-(1-fluoroethyl)-2-pyridinyl]propanoic acid?
The IUPAC name of 2-amino-3-[4-(1-fluoroethyl)-2-pyridinyl]propanoic acid (CID 18439519) is 2-amino-3-[4-(1-fluoroethyl)-2-pyridinyl]propanoic acid.
What is the SMILES notation for 2-amino-3-[4-(1-fluoroethyl)-2-pyridinyl]propanoic acid?
The canonical SMILES for 2-amino-3-[4-(1-fluoroethyl)-2-pyridinyl]propanoic acid is CC(F)c1ccnc(CC(N)C(=O)O)c1.
What is the InChIKey of 2-amino-3-[4-(1-fluoroethyl)-2-pyridinyl]propanoic acid?
The InChIKey is KXKUZIFAJXBWAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13FN2O2/c1-6(11)7-2-3-13-8(4-7)5-9(12)10(14)15/h2-4,6,9H,5,12H2,1H3,(H,14,15).
What are the key properties of 2-amino-3-[4-(1-fluoroethyl)-2-pyridinyl]propanoic acid?
2-amino-3-[4-(1-fluoroethyl)-2-pyridinyl]propanoic acid has a molecular weight of 212.22 g/mol, XLogP of 1.07, 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-(1-fluoroethyl)-2-pyridinyl]propanoic acid is sourced from PubChem (CID 18439519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).