2-[(4-fluoro-6-oxo-1H-pyrimidin-2-yl)amino]propanoic acid

C7H8FN3O3 — CID 135403532

IUPAC2-[(4-fluoro-6-oxo-1H-pyrimidin-2-yl)amino]propanoic acid
SMILESCC(Nc1nc(F)cc(=O)[nH]1)C(=O)O
InChIInChI=1S/C7H8FN3O3/c1-3(6(13)14)9-7-10-4(8)2-5(12)11-7/h2-3H,1H3,(H,13,14)(H2,9,10,11,12)
InChIKeyHZMXVWXPJVWMFO-UHFFFAOYSA-N
MW201.16 g/mol
LogP-0.21
Rot. Bonds3

About 2-[(4-fluoro-6-oxo-1H-pyrimidin-2-yl)amino]propanoic acid

2-[(4-fluoro-6-oxo-1H-pyrimidin-2-yl)amino]propanoic acid (PubChem CID 135403532) has the molecular formula C7H8FN3O3 and a molecular weight of 201.16 g/mol. Its IUPAC name is 2-[(4-fluoro-6-oxo-1H-pyrimidin-2-yl)amino]propanoic acid.

Molecular Properties

Compound Name2-[(4-fluoro-6-oxo-1H-pyrimidin-2-yl)amino]propanoic acid
PubChem CID135403532
Molecular FormulaC7H8FN3O3
Molecular Weight201.16 g/mol
Exact Mass201.05
IUPAC Name2-[(4-fluoro-6-oxo-1H-pyrimidin-2-yl)amino]propanoic acid
SMILESCC(Nc1nc(F)cc(=O)[nH]1)C(=O)O
InChIInChI=1S/C7H8FN3O3/c1-3(6(13)14)9-7-10-4(8)2-5(12)11-7/h2-3H,1H3,(H,13,14)(H2,9,10,11,12)
InChIKeyHZMXVWXPJVWMFO-UHFFFAOYSA-N
XLogP-0.21
TPSA95.08 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.16
LogP ≤ 5-0.21
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[(4-fluoro-6-oxo-1H-pyrimidin-2-yl)amino]propanoic acid?
The IUPAC name of 2-[(4-fluoro-6-oxo-1H-pyrimidin-2-yl)amino]propanoic acid (CID 135403532) is 2-[(4-fluoro-6-oxo-1H-pyrimidin-2-yl)amino]propanoic acid.
What is the SMILES notation for 2-[(4-fluoro-6-oxo-1H-pyrimidin-2-yl)amino]propanoic acid?
The canonical SMILES for 2-[(4-fluoro-6-oxo-1H-pyrimidin-2-yl)amino]propanoic acid is CC(Nc1nc(F)cc(=O)[nH]1)C(=O)O.
What is the InChIKey of 2-[(4-fluoro-6-oxo-1H-pyrimidin-2-yl)amino]propanoic acid?
The InChIKey is HZMXVWXPJVWMFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8FN3O3/c1-3(6(13)14)9-7-10-4(8)2-5(12)11-7/h2-3H,1H3,(H,13,14)(H2,9,10,11,12).
What are the key properties of 2-[(4-fluoro-6-oxo-1H-pyrimidin-2-yl)amino]propanoic acid?
2-[(4-fluoro-6-oxo-1H-pyrimidin-2-yl)amino]propanoic acid has a molecular weight of 201.16 g/mol, XLogP of -0.21, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-fluoro-6-oxo-1H-pyrimidin-2-yl)amino]propanoic acid is sourced from PubChem (CID 135403532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).