methyl 3-[(5-fluoro-2-hydroxybenzoyl)-methylamino]-2-methylpropanoate

C13H16FNO4 — CID 79532029

IUPACmethyl 3-[(5-fluoro-2-hydroxybenzoyl)-methylamino]-2-methylpropanoate
SMILESCOC(=O)C(C)CN(C)C(=O)c1cc(F)ccc1O
InChIInChI=1S/C13H16FNO4/c1-8(13(18)19-3)7-15(2)12(17)10-6-9(14)4-5-11(10)16/h4-6,8,16H,7H2,1-3H3
InChIKeyJNRFQLLEUPSYJG-UHFFFAOYSA-N
MW269.27 g/mol
LogP1.41
Rot. Bonds4

About methyl 3-[(5-fluoro-2-hydroxybenzoyl)-methylamino]-2-methylpropanoate

methyl 3-[(5-fluoro-2-hydroxybenzoyl)-methylamino]-2-methylpropanoate (PubChem CID 79532029) has the molecular formula C13H16FNO4 and a molecular weight of 269.27 g/mol. Its IUPAC name is methyl 3-[(5-fluoro-2-hydroxybenzoyl)-methylamino]-2-methylpropanoate.

Molecular Properties

Compound Namemethyl 3-[(5-fluoro-2-hydroxybenzoyl)-methylamino]-2-methylpropanoate
PubChem CID79532029
Molecular FormulaC13H16FNO4
Molecular Weight269.27 g/mol
Exact Mass269.11
IUPAC Namemethyl 3-[(5-fluoro-2-hydroxybenzoyl)-methylamino]-2-methylpropanoate
SMILESCOC(=O)C(C)CN(C)C(=O)c1cc(F)ccc1O
InChIInChI=1S/C13H16FNO4/c1-8(13(18)19-3)7-15(2)12(17)10-6-9(14)4-5-11(10)16/h4-6,8,16H,7H2,1-3H3
InChIKeyJNRFQLLEUPSYJG-UHFFFAOYSA-N
XLogP1.41
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.27
LogP ≤ 51.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl 3-[(5-fluoro-2-hydroxybenzoyl)-methylamino]-2-methylpropanoate?
The IUPAC name of methyl 3-[(5-fluoro-2-hydroxybenzoyl)-methylamino]-2-methylpropanoate (CID 79532029) is methyl 3-[(5-fluoro-2-hydroxybenzoyl)-methylamino]-2-methylpropanoate.
What is the SMILES notation for methyl 3-[(5-fluoro-2-hydroxybenzoyl)-methylamino]-2-methylpropanoate?
The canonical SMILES for methyl 3-[(5-fluoro-2-hydroxybenzoyl)-methylamino]-2-methylpropanoate is COC(=O)C(C)CN(C)C(=O)c1cc(F)ccc1O.
What is the InChIKey of methyl 3-[(5-fluoro-2-hydroxybenzoyl)-methylamino]-2-methylpropanoate?
The InChIKey is JNRFQLLEUPSYJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16FNO4/c1-8(13(18)19-3)7-15(2)12(17)10-6-9(14)4-5-11(10)16/h4-6,8,16H,7H2,1-3H3.
What are the key properties of methyl 3-[(5-fluoro-2-hydroxybenzoyl)-methylamino]-2-methylpropanoate?
methyl 3-[(5-fluoro-2-hydroxybenzoyl)-methylamino]-2-methylpropanoate has a molecular weight of 269.27 g/mol, XLogP of 1.41, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[(5-fluoro-2-hydroxybenzoyl)-methylamino]-2-methylpropanoate is sourced from PubChem (CID 79532029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).