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

C7H7FN3O3- — CID 135533392

IUPAC2-[(4-fluoro-6-oxo-1H-pyrimidin-2-yl)amino]propanoate
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)/p-1
InChIKeyHZMXVWXPJVWMFO-UHFFFAOYSA-M
MW200.15 g/mol
LogP-1.54
Rot. Bonds3

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

2-[(4-fluoro-6-oxo-1H-pyrimidin-2-yl)amino]propanoate (PubChem CID 135533392) has the molecular formula C7H7FN3O3- and a molecular weight of 200.15 g/mol. Its IUPAC name is 2-[(4-fluoro-6-oxo-1H-pyrimidin-2-yl)amino]propanoate.

Molecular Properties

Compound Name2-[(4-fluoro-6-oxo-1H-pyrimidin-2-yl)amino]propanoate
PubChem CID135533392
Molecular FormulaC7H7FN3O3-
Molecular Weight200.15 g/mol
Exact Mass200.05
IUPAC Name2-[(4-fluoro-6-oxo-1H-pyrimidin-2-yl)amino]propanoate
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)/p-1
InChIKeyHZMXVWXPJVWMFO-UHFFFAOYSA-M
XLogP-1.54
TPSA97.91 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
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

2-(4-Fluoro-6-oxo-1,6-dihydro-pyrimidin-2-ylamino)-propionic acid
CID 135403532
N-(4-fluoro-6-oxo-1,6-dihydropyrimidin-2-yl)glycine
CID 135442353
2-[(4-fluoro-6-oxo-1H-pyrimidin-2-yl)amino]acetate
CID 135442352
(2S)-2-[(4-fluoro-6-oxo-1H-pyrimidin-2-yl)amino]propanoate
CID 135674881
(2S)-2-[(4-fluoro-6-oxo-1H-pyrimidin-2-yl)amino]propanoic acid
CID 135674882
(2R)-2-[(4-fluoro-6-oxo-1H-pyrimidin-2-yl)amino]propanoate
CID 135674883
(2R)-2-[(4-fluoro-6-oxo-1H-pyrimidin-2-yl)amino]propanoic acid
CID 135674884
n-[6-Oxo-4-(trifluoromethyl)-1,6-dihydropyrimidin-2-yl]glycine
CID 136388269
2-[[6-oxo-4-(trifluoromethyl)-1H-pyrimidin-2-yl]amino]propanoic acid
CID 136388270
2-[(6-oxo-1H-pyrimidin-2-yl)amino]propanoic acid
CID 133621396
2-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)amino]acetate
CID 135772253
2-[(6-oxo-1H-pyrimidin-4-yl)amino]propanoic acid
CID 136958425

Frequently Asked Questions

What is the IUPAC name of 2-[(4-fluoro-6-oxo-1H-pyrimidin-2-yl)amino]propanoate?
The IUPAC name of 2-[(4-fluoro-6-oxo-1H-pyrimidin-2-yl)amino]propanoate (CID 135533392) is 2-[(4-fluoro-6-oxo-1H-pyrimidin-2-yl)amino]propanoate.
What is the SMILES notation for 2-[(4-fluoro-6-oxo-1H-pyrimidin-2-yl)amino]propanoate?
The canonical SMILES for 2-[(4-fluoro-6-oxo-1H-pyrimidin-2-yl)amino]propanoate 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]propanoate?
The InChIKey is HZMXVWXPJVWMFO-UHFFFAOYSA-M. 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)/p-1.
What are the key properties of 2-[(4-fluoro-6-oxo-1H-pyrimidin-2-yl)amino]propanoate?
2-[(4-fluoro-6-oxo-1H-pyrimidin-2-yl)amino]propanoate has a molecular weight of 200.15 g/mol, XLogP of -1.54, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-fluoro-6-oxo-1H-pyrimidin-2-yl)amino]propanoate is sourced from PubChem (CID 135533392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).