3-[(4-fluoro-5-methyl-6-oxo-1H-pyrimidin-2-yl)amino]propanoic acid

C8H10FN3O3 — CID 135721714

IUPAC3-[(4-fluoro-5-methyl-6-oxo-1H-pyrimidin-2-yl)amino]propanoic acid
SMILESCc1c(F)nc(NCCC(=O)O)[nH]c1=O
InChIInChI=1S/C8H10FN3O3/c1-4-6(9)11-8(12-7(4)15)10-3-2-5(13)14/h2-3H2,1H3,(H,13,14)(H2,10,11,12,15)
InChIKeyXRLOALLHPCZSRS-UHFFFAOYSA-N
MW215.18 g/mol
LogP0.10
Rot. Bonds4

About 3-[(4-fluoro-5-methyl-6-oxo-1H-pyrimidin-2-yl)amino]propanoic acid

3-[(4-fluoro-5-methyl-6-oxo-1H-pyrimidin-2-yl)amino]propanoic acid (PubChem CID 135721714) has the molecular formula C8H10FN3O3 and a molecular weight of 215.18 g/mol. Its IUPAC name is 3-[(4-fluoro-5-methyl-6-oxo-1H-pyrimidin-2-yl)amino]propanoic acid.

Molecular Properties

Compound Name3-[(4-fluoro-5-methyl-6-oxo-1H-pyrimidin-2-yl)amino]propanoic acid
PubChem CID135721714
Molecular FormulaC8H10FN3O3
Molecular Weight215.18 g/mol
Exact Mass215.07
IUPAC Name3-[(4-fluoro-5-methyl-6-oxo-1H-pyrimidin-2-yl)amino]propanoic acid
SMILESCc1c(F)nc(NCCC(=O)O)[nH]c1=O
InChIInChI=1S/C8H10FN3O3/c1-4-6(9)11-8(12-7(4)15)10-3-2-5(13)14/h2-3H2,1H3,(H,13,14)(H2,10,11,12,15)
InChIKeyXRLOALLHPCZSRS-UHFFFAOYSA-N
XLogP0.10
TPSA95.08 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.18
LogP ≤ 50.10
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[(4-fluoro-5-methyl-6-oxo-1H-pyrimidin-2-yl)amino]propanoic acid?
The IUPAC name of 3-[(4-fluoro-5-methyl-6-oxo-1H-pyrimidin-2-yl)amino]propanoic acid (CID 135721714) is 3-[(4-fluoro-5-methyl-6-oxo-1H-pyrimidin-2-yl)amino]propanoic acid.
What is the SMILES notation for 3-[(4-fluoro-5-methyl-6-oxo-1H-pyrimidin-2-yl)amino]propanoic acid?
The canonical SMILES for 3-[(4-fluoro-5-methyl-6-oxo-1H-pyrimidin-2-yl)amino]propanoic acid is Cc1c(F)nc(NCCC(=O)O)[nH]c1=O.
What is the InChIKey of 3-[(4-fluoro-5-methyl-6-oxo-1H-pyrimidin-2-yl)amino]propanoic acid?
The InChIKey is XRLOALLHPCZSRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10FN3O3/c1-4-6(9)11-8(12-7(4)15)10-3-2-5(13)14/h2-3H2,1H3,(H,13,14)(H2,10,11,12,15).
What are the key properties of 3-[(4-fluoro-5-methyl-6-oxo-1H-pyrimidin-2-yl)amino]propanoic acid?
3-[(4-fluoro-5-methyl-6-oxo-1H-pyrimidin-2-yl)amino]propanoic acid has a molecular weight of 215.18 g/mol, XLogP of 0.10, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-fluoro-5-methyl-6-oxo-1H-pyrimidin-2-yl)amino]propanoic acid is sourced from PubChem (CID 135721714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).