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

C7H8FN3O3 — CID 135674882

IUPAC(2S)-2-[(4-fluoro-6-oxo-1H-pyrimidin-2-yl)amino]propanoic acid
SMILESC[C@H](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)/t3-/m0/s1
InChIKeyHZMXVWXPJVWMFO-VKHMYHEASA-N
MW201.16 g/mol
LogP-0.21
Rot. Bonds3

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

(2S)-2-[(4-fluoro-6-oxo-1H-pyrimidin-2-yl)amino]propanoic acid (PubChem CID 135674882) has the molecular formula C7H8FN3O3 and a molecular weight of 201.16 g/mol. Its IUPAC name is (2S)-2-[(4-fluoro-6-oxo-1H-pyrimidin-2-yl)amino]propanoic acid.

Molecular Properties

Compound Name(2S)-2-[(4-fluoro-6-oxo-1H-pyrimidin-2-yl)amino]propanoic acid
PubChem CID135674882
Molecular FormulaC7H8FN3O3
Molecular Weight201.16 g/mol
Exact Mass201.05
IUPAC Name(2S)-2-[(4-fluoro-6-oxo-1H-pyrimidin-2-yl)amino]propanoic acid
SMILESC[C@H](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)/t3-/m0/s1
InChIKeyHZMXVWXPJVWMFO-VKHMYHEASA-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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Related Compounds

2-(4-Fluoro-6-oxo-1,6-dihydro-pyrimidin-2-ylamino)-propionic acid
CID 135403532
2-[(6-methyl-4-oxo-1H-pyrimidin-2-yl)amino]acetic acid
CID 135449770
N-(4-fluoro-6-oxo-1,6-dihydropyrimidin-2-yl)glycine
CID 135442353
3-[(4-fluoro-6-oxo-1H-pyrimidin-2-yl)amino]propanoic acid
CID 135491956
2-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)amino]propanoic acid
CID 135468165
2-[(4-fluoro-6-oxo-1H-pyrimidin-2-yl)amino]acetate
CID 135442352
2-[(4-fluoro-6-oxo-1H-pyrimidin-2-yl)amino]propanoate
CID 135533392
(2S)-2-[(4-fluoro-6-oxo-1H-pyrimidin-2-yl)amino]propanoate
CID 135674881
(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
2-[(4-fluoro-5-methyl-6-oxo-1H-pyrimidin-2-yl)amino]acetic acid
CID 135721713
2-[[6-oxo-4-(trifluoromethyl)-1H-pyrimidin-2-yl]amino]butanoic acid
CID 136388267

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[(4-fluoro-6-oxo-1H-pyrimidin-2-yl)amino]propanoic acid?
The IUPAC name of (2S)-2-[(4-fluoro-6-oxo-1H-pyrimidin-2-yl)amino]propanoic acid (CID 135674882) is (2S)-2-[(4-fluoro-6-oxo-1H-pyrimidin-2-yl)amino]propanoic acid.
What is the SMILES notation for (2S)-2-[(4-fluoro-6-oxo-1H-pyrimidin-2-yl)amino]propanoic acid?
The canonical SMILES for (2S)-2-[(4-fluoro-6-oxo-1H-pyrimidin-2-yl)amino]propanoic acid is C[C@H](Nc1nc(F)cc(=O)[nH]1)C(=O)O.
What is the InChIKey of (2S)-2-[(4-fluoro-6-oxo-1H-pyrimidin-2-yl)amino]propanoic acid?
The InChIKey is HZMXVWXPJVWMFO-VKHMYHEASA-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)/t3-/m0/s1.
What are the key properties of (2S)-2-[(4-fluoro-6-oxo-1H-pyrimidin-2-yl)amino]propanoic acid?
(2S)-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 (2S)-2-[(4-fluoro-6-oxo-1H-pyrimidin-2-yl)amino]propanoic acid is sourced from PubChem (CID 135674882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).