2-[3-fluoro-4-hydroxy-N-[(2-methylpropan-2-yl)oxycarbonyl]anilino]acetic acid

C13H16FNO5 — CID 22753548

IUPAC2-[3-fluoro-4-hydroxy-N-[(2-methylpropan-2-yl)oxycarbonyl]anilino]acetic acid
SMILESCC(C)(C)OC(=O)N(CC(=O)O)c1ccc(O)c(F)c1
InChIInChI=1S/C13H16FNO5/c1-13(2,3)20-12(19)15(7-11(17)18)8-4-5-10(16)9(14)6-8/h4-6,16H,7H2,1-3H3,(H,17,18)
InChIKeyUGIBLPKSFGXNEG-UHFFFAOYSA-N
MW285.27 g/mol
LogP2.36
Rot. Bonds3

About 2-[3-fluoro-4-hydroxy-N-[(2-methylpropan-2-yl)oxycarbonyl]anilino]acetic acid

2-[3-fluoro-4-hydroxy-N-[(2-methylpropan-2-yl)oxycarbonyl]anilino]acetic acid (PubChem CID 22753548) has the molecular formula C13H16FNO5 and a molecular weight of 285.27 g/mol. Its IUPAC name is 2-[3-fluoro-4-hydroxy-N-[(2-methylpropan-2-yl)oxycarbonyl]anilino]acetic acid.

Molecular Properties

Compound Name2-[3-fluoro-4-hydroxy-N-[(2-methylpropan-2-yl)oxycarbonyl]anilino]acetic acid
PubChem CID22753548
Molecular FormulaC13H16FNO5
Molecular Weight285.27 g/mol
Exact Mass285.10
IUPAC Name2-[3-fluoro-4-hydroxy-N-[(2-methylpropan-2-yl)oxycarbonyl]anilino]acetic acid
SMILESCC(C)(C)OC(=O)N(CC(=O)O)c1ccc(O)c(F)c1
InChIInChI=1S/C13H16FNO5/c1-13(2,3)20-12(19)15(7-11(17)18)8-4-5-10(16)9(14)6-8/h4-6,16H,7H2,1-3H3,(H,17,18)
InChIKeyUGIBLPKSFGXNEG-UHFFFAOYSA-N
XLogP2.36
TPSA87.07 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.27
LogP ≤ 52.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[3-fluoro-4-hydroxy-N-[(2-methylpropan-2-yl)oxycarbonyl]anilino]acetic acid?
The IUPAC name of 2-[3-fluoro-4-hydroxy-N-[(2-methylpropan-2-yl)oxycarbonyl]anilino]acetic acid (CID 22753548) is 2-[3-fluoro-4-hydroxy-N-[(2-methylpropan-2-yl)oxycarbonyl]anilino]acetic acid.
What is the SMILES notation for 2-[3-fluoro-4-hydroxy-N-[(2-methylpropan-2-yl)oxycarbonyl]anilino]acetic acid?
The canonical SMILES for 2-[3-fluoro-4-hydroxy-N-[(2-methylpropan-2-yl)oxycarbonyl]anilino]acetic acid is CC(C)(C)OC(=O)N(CC(=O)O)c1ccc(O)c(F)c1.
What is the InChIKey of 2-[3-fluoro-4-hydroxy-N-[(2-methylpropan-2-yl)oxycarbonyl]anilino]acetic acid?
The InChIKey is UGIBLPKSFGXNEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16FNO5/c1-13(2,3)20-12(19)15(7-11(17)18)8-4-5-10(16)9(14)6-8/h4-6,16H,7H2,1-3H3,(H,17,18).
What are the key properties of 2-[3-fluoro-4-hydroxy-N-[(2-methylpropan-2-yl)oxycarbonyl]anilino]acetic acid?
2-[3-fluoro-4-hydroxy-N-[(2-methylpropan-2-yl)oxycarbonyl]anilino]acetic acid has a molecular weight of 285.27 g/mol, XLogP of 2.36, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-fluoro-4-hydroxy-N-[(2-methylpropan-2-yl)oxycarbonyl]anilino]acetic acid is sourced from PubChem (CID 22753548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).