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

C7H11FN4O2 — CID 59561732

IUPAC2-amino-3-[1-(2-fluoroethyl)triazol-4-yl]propanoic acid
SMILESNC(Cc1cn(CCF)nn1)C(=O)O
InChIInChI=1S/C7H11FN4O2/c8-1-2-12-4-5(10-11-12)3-6(9)7(13)14/h4,6H,1-3,9H2,(H,13,14)
InChIKeyWEQSVYQOWNIRGD-UHFFFAOYSA-N
MW202.19 g/mol
LogP-0.80
Rot. Bonds5

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

2-amino-3-[1-(2-fluoroethyl)triazol-4-yl]propanoic acid (PubChem CID 59561732) has the molecular formula C7H11FN4O2 and a molecular weight of 202.19 g/mol. Its IUPAC name is 2-amino-3-[1-(2-fluoroethyl)triazol-4-yl]propanoic acid.

Molecular Properties

Compound Name2-amino-3-[1-(2-fluoroethyl)triazol-4-yl]propanoic acid
PubChem CID59561732
Molecular FormulaC7H11FN4O2
Molecular Weight202.19 g/mol
Exact Mass202.09
IUPAC Name2-amino-3-[1-(2-fluoroethyl)triazol-4-yl]propanoic acid
SMILESNC(Cc1cn(CCF)nn1)C(=O)O
InChIInChI=1S/C7H11FN4O2/c8-1-2-12-4-5(10-11-12)3-6(9)7(13)14/h4,6H,1-3,9H2,(H,13,14)
InChIKeyWEQSVYQOWNIRGD-UHFFFAOYSA-N
XLogP-0.80
TPSA94.03 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.19
LogP ≤ 5-0.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-amino-3-[1-(2-fluoroethyl)triazol-4-yl]propanoic acid?
The IUPAC name of 2-amino-3-[1-(2-fluoroethyl)triazol-4-yl]propanoic acid (CID 59561732) is 2-amino-3-[1-(2-fluoroethyl)triazol-4-yl]propanoic acid.
What is the SMILES notation for 2-amino-3-[1-(2-fluoroethyl)triazol-4-yl]propanoic acid?
The canonical SMILES for 2-amino-3-[1-(2-fluoroethyl)triazol-4-yl]propanoic acid is NC(Cc1cn(CCF)nn1)C(=O)O.
What is the InChIKey of 2-amino-3-[1-(2-fluoroethyl)triazol-4-yl]propanoic acid?
The InChIKey is WEQSVYQOWNIRGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11FN4O2/c8-1-2-12-4-5(10-11-12)3-6(9)7(13)14/h4,6H,1-3,9H2,(H,13,14).
What are the key properties of 2-amino-3-[1-(2-fluoroethyl)triazol-4-yl]propanoic acid?
2-amino-3-[1-(2-fluoroethyl)triazol-4-yl]propanoic acid has a molecular weight of 202.19 g/mol, XLogP of -0.80, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-[1-(2-fluoroethyl)triazol-4-yl]propanoic acid is sourced from PubChem (CID 59561732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).