2-[5-fluoro-4-[(2-methylpropan-2-yl)oxycarbonylamino]-2-oxopyrimidin-1-yl]acetic acid

C11H14FN3O5 — CID 163320882

IUPAC2-[5-fluoro-4-[(2-methylpropan-2-yl)oxycarbonylamino]-2-oxopyrimidin-1-yl]acetic acid
SMILESCC(C)(C)OC(=O)Nc1nc(=O)n(CC(=O)O)cc1F
InChIInChI=1S/C11H14FN3O5/c1-11(2,3)20-10(19)14-8-6(12)4-15(5-7(16)17)9(18)13-8/h4H,5H2,1-3H3,(H,16,17)(H,13,14,18,19)
InChIKeyYEVGELXXTMEFRA-UHFFFAOYSA-N
MW287.25 g/mol
LogP0.81
Rot. Bonds3

About 2-[5-fluoro-4-[(2-methylpropan-2-yl)oxycarbonylamino]-2-oxopyrimidin-1-yl]acetic acid

2-[5-fluoro-4-[(2-methylpropan-2-yl)oxycarbonylamino]-2-oxopyrimidin-1-yl]acetic acid (PubChem CID 163320882) has the molecular formula C11H14FN3O5 and a molecular weight of 287.25 g/mol. Its IUPAC name is 2-[5-fluoro-4-[(2-methylpropan-2-yl)oxycarbonylamino]-2-oxopyrimidin-1-yl]acetic acid.

Molecular Properties

Compound Name2-[5-fluoro-4-[(2-methylpropan-2-yl)oxycarbonylamino]-2-oxopyrimidin-1-yl]acetic acid
PubChem CID163320882
Molecular FormulaC11H14FN3O5
Molecular Weight287.25 g/mol
Exact Mass287.09
IUPAC Name2-[5-fluoro-4-[(2-methylpropan-2-yl)oxycarbonylamino]-2-oxopyrimidin-1-yl]acetic acid
SMILESCC(C)(C)OC(=O)Nc1nc(=O)n(CC(=O)O)cc1F
InChIInChI=1S/C11H14FN3O5/c1-11(2,3)20-10(19)14-8-6(12)4-15(5-7(16)17)9(18)13-8/h4H,5H2,1-3H3,(H,16,17)(H,13,14,18,19)
InChIKeyYEVGELXXTMEFRA-UHFFFAOYSA-N
XLogP0.81
TPSA110.52 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.25
LogP ≤ 50.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-[6-[(2-methylpropan-2-yl)oxycarbonylamino]purin-9-yl]acetic acid
CID 10913369
2-[6-[(2-methylpropan-2-yl)oxycarbonylamino]-5-oxo-3-phenyl-1,2,4-triazin-4-yl]acetic acid
CID 70240797
2-[3-[(2-methylpropan-2-yl)oxycarbonylamino]-1,2,4-triazol-1-yl]acetic acid
CID 129117447
1-[5-fluoro-3-methyl-6-[(2-methylpropan-2-yl)oxycarbonylamino]-2-pyridinyl]-5-(trifluoromethyl)pyrazole-4-carboxylic acid
CID 146285572
methyl N-[1-[(2R,5R)-3,4-dihydroxy-5-methyloxolan-2-yl]-5-fluoro-2-oxopyrimidin-4-yl]carbamate
CID 163729768
2-[2-fluoro-4-[(2-methylpropan-2-yl)oxycarbonylamino]phenyl]acetic acid
CID 125456654
2-[6-methoxy-5-[(2-methylpropan-2-yl)oxycarbonylamino]indazol-2-yl]acetic acid
CID 118172850
5-fluoro-2-[(2-methylpropan-2-yl)oxycarbonylamino]pyridine-4-carboxylic acid
CID 137407913
2,5-difluoro-4-[(2-methylpropan-2-yl)oxycarbonylamino]benzoic acid
CID 122204937
tert-butyl N-(2-oxo-1H-pyrazin-3-yl)carbamate
CID 20624434
4-[7-[bis[(2-methylpropan-2-yl)oxycarbonyl]amino]-4-[(2-methylpropan-2-yl)oxycarbonylamino]-2-oxopyrimido[4,5-d]pyrimidin-1-yl]butanoic acid
CID 72722849
2-[4-fluoro-3-[(2-methylpropan-2-yl)oxycarbonylamino]phenyl]acetic acid
CID 117426191

Frequently Asked Questions

What is the IUPAC name of 2-[5-fluoro-4-[(2-methylpropan-2-yl)oxycarbonylamino]-2-oxopyrimidin-1-yl]acetic acid?
The IUPAC name of 2-[5-fluoro-4-[(2-methylpropan-2-yl)oxycarbonylamino]-2-oxopyrimidin-1-yl]acetic acid (CID 163320882) is 2-[5-fluoro-4-[(2-methylpropan-2-yl)oxycarbonylamino]-2-oxopyrimidin-1-yl]acetic acid.
What is the SMILES notation for 2-[5-fluoro-4-[(2-methylpropan-2-yl)oxycarbonylamino]-2-oxopyrimidin-1-yl]acetic acid?
The canonical SMILES for 2-[5-fluoro-4-[(2-methylpropan-2-yl)oxycarbonylamino]-2-oxopyrimidin-1-yl]acetic acid is CC(C)(C)OC(=O)Nc1nc(=O)n(CC(=O)O)cc1F.
What is the InChIKey of 2-[5-fluoro-4-[(2-methylpropan-2-yl)oxycarbonylamino]-2-oxopyrimidin-1-yl]acetic acid?
The InChIKey is YEVGELXXTMEFRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14FN3O5/c1-11(2,3)20-10(19)14-8-6(12)4-15(5-7(16)17)9(18)13-8/h4H,5H2,1-3H3,(H,16,17)(H,13,14,18,19).
What are the key properties of 2-[5-fluoro-4-[(2-methylpropan-2-yl)oxycarbonylamino]-2-oxopyrimidin-1-yl]acetic acid?
2-[5-fluoro-4-[(2-methylpropan-2-yl)oxycarbonylamino]-2-oxopyrimidin-1-yl]acetic acid has a molecular weight of 287.25 g/mol, XLogP of 0.81, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-fluoro-4-[(2-methylpropan-2-yl)oxycarbonylamino]-2-oxopyrimidin-1-yl]acetic acid is sourced from PubChem (CID 163320882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).