3-[(4-fluoro-6-oxo-1H-pyrimidin-2-yl)amino]propanoate

C7H7FN3O3- — CID 135491955

IUPAC3-[(4-fluoro-6-oxo-1H-pyrimidin-2-yl)amino]propanoate
SMILESO=C([O-])CCNc1nc(F)cc(=O)[nH]1
InChIInChI=1S/C7H8FN3O3/c8-4-3-5(12)11-7(10-4)9-2-1-6(13)14/h3H,1-2H2,(H,13,14)(H2,9,10,11,12)/p-1
InChIKeyICUARCWUWMBMIO-UHFFFAOYSA-M
MW200.15 g/mol
LogP-1.54
Rot. Bonds4

About 3-[(4-fluoro-6-oxo-1H-pyrimidin-2-yl)amino]propanoate

3-[(4-fluoro-6-oxo-1H-pyrimidin-2-yl)amino]propanoate (PubChem CID 135491955) has the molecular formula C7H7FN3O3- and a molecular weight of 200.15 g/mol. Its IUPAC name is 3-[(4-fluoro-6-oxo-1H-pyrimidin-2-yl)amino]propanoate.

Molecular Properties

Compound Name3-[(4-fluoro-6-oxo-1H-pyrimidin-2-yl)amino]propanoate
PubChem CID135491955
Molecular FormulaC7H7FN3O3-
Molecular Weight200.15 g/mol
Exact Mass200.05
IUPAC Name3-[(4-fluoro-6-oxo-1H-pyrimidin-2-yl)amino]propanoate
SMILESO=C([O-])CCNc1nc(F)cc(=O)[nH]1
InChIInChI=1S/C7H8FN3O3/c8-4-3-5(12)11-7(10-4)9-2-1-6(13)14/h3H,1-2H2,(H,13,14)(H2,9,10,11,12)/p-1
InChIKeyICUARCWUWMBMIO-UHFFFAOYSA-M
XLogP-1.54
TPSA97.91 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.15
LogP ≤ 5-1.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-[(4-fluoro-6-oxo-1H-pyrimidin-2-yl)amino]propanoic acid
CID 135491956
4-fluoro-2-(propylamino)-1H-pyrimidin-6-one
CID 166556696
2-[(4-fluoro-6-oxo-1H-pyrimidin-2-yl)amino]acetate
CID 135442352
2,2-difluoro-3-[(6-oxo-1H-pyrimidin-4-yl)amino]propanoic acid
CID 137257541
3-[(6-oxo-1H-pyrimidin-2-yl)amino]propanoic acid
CID 129925769

Frequently Asked Questions

What is the IUPAC name of 3-[(4-fluoro-6-oxo-1H-pyrimidin-2-yl)amino]propanoate?
The IUPAC name of 3-[(4-fluoro-6-oxo-1H-pyrimidin-2-yl)amino]propanoate (CID 135491955) is 3-[(4-fluoro-6-oxo-1H-pyrimidin-2-yl)amino]propanoate.
What is the SMILES notation for 3-[(4-fluoro-6-oxo-1H-pyrimidin-2-yl)amino]propanoate?
The canonical SMILES for 3-[(4-fluoro-6-oxo-1H-pyrimidin-2-yl)amino]propanoate is O=C([O-])CCNc1nc(F)cc(=O)[nH]1.
What is the InChIKey of 3-[(4-fluoro-6-oxo-1H-pyrimidin-2-yl)amino]propanoate?
The InChIKey is ICUARCWUWMBMIO-UHFFFAOYSA-M. The full InChI is InChI=1S/C7H8FN3O3/c8-4-3-5(12)11-7(10-4)9-2-1-6(13)14/h3H,1-2H2,(H,13,14)(H2,9,10,11,12)/p-1.
What are the key properties of 3-[(4-fluoro-6-oxo-1H-pyrimidin-2-yl)amino]propanoate?
3-[(4-fluoro-6-oxo-1H-pyrimidin-2-yl)amino]propanoate has a molecular weight of 200.15 g/mol, XLogP of -1.54, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-fluoro-6-oxo-1H-pyrimidin-2-yl)amino]propanoate is sourced from PubChem (CID 135491955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).