2-[(5-fluoropyrimidin-2-yl)amino]butanoic acid

C8H10FN3O2 — CID 104605851

IUPAC2-[(5-fluoropyrimidin-2-yl)amino]butanoic acid
SMILESCCC(Nc1ncc(F)cn1)C(=O)O
InChIInChI=1S/C8H10FN3O2/c1-2-6(7(13)14)12-8-10-3-5(9)4-11-8/h3-4,6H,2H2,1H3,(H,13,14)(H,10,11,12)
InChIKeyATMWIZYFKLDEHV-UHFFFAOYSA-N
MW199.19 g/mol
LogP0.89
Rot. Bonds4

About 2-[(5-fluoropyrimidin-2-yl)amino]butanoic acid

2-[(5-fluoropyrimidin-2-yl)amino]butanoic acid (PubChem CID 104605851) has the molecular formula C8H10FN3O2 and a molecular weight of 199.19 g/mol. Its IUPAC name is 2-[(5-fluoropyrimidin-2-yl)amino]butanoic acid.

Molecular Properties

Compound Name2-[(5-fluoropyrimidin-2-yl)amino]butanoic acid
PubChem CID104605851
Molecular FormulaC8H10FN3O2
Molecular Weight199.19 g/mol
Exact Mass199.08
IUPAC Name2-[(5-fluoropyrimidin-2-yl)amino]butanoic acid
SMILESCCC(Nc1ncc(F)cn1)C(=O)O
InChIInChI=1S/C8H10FN3O2/c1-2-6(7(13)14)12-8-10-3-5(9)4-11-8/h3-4,6H,2H2,1H3,(H,13,14)(H,10,11,12)
InChIKeyATMWIZYFKLDEHV-UHFFFAOYSA-N
XLogP0.89
TPSA75.11 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.19
LogP ≤ 50.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[(5-fluoropyrimidin-2-yl)amino]butanoic acid?
The IUPAC name of 2-[(5-fluoropyrimidin-2-yl)amino]butanoic acid (CID 104605851) is 2-[(5-fluoropyrimidin-2-yl)amino]butanoic acid.
What is the SMILES notation for 2-[(5-fluoropyrimidin-2-yl)amino]butanoic acid?
The canonical SMILES for 2-[(5-fluoropyrimidin-2-yl)amino]butanoic acid is CCC(Nc1ncc(F)cn1)C(=O)O.
What is the InChIKey of 2-[(5-fluoropyrimidin-2-yl)amino]butanoic acid?
The InChIKey is ATMWIZYFKLDEHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10FN3O2/c1-2-6(7(13)14)12-8-10-3-5(9)4-11-8/h3-4,6H,2H2,1H3,(H,13,14)(H,10,11,12).
What are the key properties of 2-[(5-fluoropyrimidin-2-yl)amino]butanoic acid?
2-[(5-fluoropyrimidin-2-yl)amino]butanoic acid has a molecular weight of 199.19 g/mol, XLogP of 0.89, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-fluoropyrimidin-2-yl)amino]butanoic acid is sourced from PubChem (CID 104605851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).