ethyl 3-[(5-fluoro-2-hydroxybenzoyl)-methylamino]propanoate

C13H16FNO4 — CID 79880973

IUPACethyl 3-[(5-fluoro-2-hydroxybenzoyl)-methylamino]propanoate
SMILESCCOC(=O)CCN(C)C(=O)c1cc(F)ccc1O
InChIInChI=1S/C13H16FNO4/c1-3-19-12(17)6-7-15(2)13(18)10-8-9(14)4-5-11(10)16/h4-5,8,16H,3,6-7H2,1-2H3
InChIKeyGRISROAZAYZTOQ-UHFFFAOYSA-N
MW269.27 g/mol
LogP1.56
Rot. Bonds5

About ethyl 3-[(5-fluoro-2-hydroxybenzoyl)-methylamino]propanoate

ethyl 3-[(5-fluoro-2-hydroxybenzoyl)-methylamino]propanoate (PubChem CID 79880973) has the molecular formula C13H16FNO4 and a molecular weight of 269.27 g/mol. Its IUPAC name is ethyl 3-[(5-fluoro-2-hydroxybenzoyl)-methylamino]propanoate.

Molecular Properties

Compound Nameethyl 3-[(5-fluoro-2-hydroxybenzoyl)-methylamino]propanoate
PubChem CID79880973
Molecular FormulaC13H16FNO4
Molecular Weight269.27 g/mol
Exact Mass269.11
IUPAC Nameethyl 3-[(5-fluoro-2-hydroxybenzoyl)-methylamino]propanoate
SMILESCCOC(=O)CCN(C)C(=O)c1cc(F)ccc1O
InChIInChI=1S/C13H16FNO4/c1-3-19-12(17)6-7-15(2)13(18)10-8-9(14)4-5-11(10)16/h4-5,8,16H,3,6-7H2,1-2H3
InChIKeyGRISROAZAYZTOQ-UHFFFAOYSA-N
XLogP1.56
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.27
LogP ≤ 51.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethyl 3-[(5-fluoro-2-hydroxybenzoyl)-methylamino]propanoate?
The IUPAC name of ethyl 3-[(5-fluoro-2-hydroxybenzoyl)-methylamino]propanoate (CID 79880973) is ethyl 3-[(5-fluoro-2-hydroxybenzoyl)-methylamino]propanoate.
What is the SMILES notation for ethyl 3-[(5-fluoro-2-hydroxybenzoyl)-methylamino]propanoate?
The canonical SMILES for ethyl 3-[(5-fluoro-2-hydroxybenzoyl)-methylamino]propanoate is CCOC(=O)CCN(C)C(=O)c1cc(F)ccc1O.
What is the InChIKey of ethyl 3-[(5-fluoro-2-hydroxybenzoyl)-methylamino]propanoate?
The InChIKey is GRISROAZAYZTOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16FNO4/c1-3-19-12(17)6-7-15(2)13(18)10-8-9(14)4-5-11(10)16/h4-5,8,16H,3,6-7H2,1-2H3.
What are the key properties of ethyl 3-[(5-fluoro-2-hydroxybenzoyl)-methylamino]propanoate?
ethyl 3-[(5-fluoro-2-hydroxybenzoyl)-methylamino]propanoate has a molecular weight of 269.27 g/mol, XLogP of 1.56, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-[(5-fluoro-2-hydroxybenzoyl)-methylamino]propanoate is sourced from PubChem (CID 79880973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).