ethyl 3-[(2-fluoro-6-hydroxybenzoyl)-methylamino]propanoate

C13H16FNO4 — CID 104917099

IUPACethyl 3-[(2-fluoro-6-hydroxybenzoyl)-methylamino]propanoate
SMILESCCOC(=O)CCN(C)C(=O)c1c(O)cccc1F
InChIInChI=1S/C13H16FNO4/c1-3-19-11(17)7-8-15(2)13(18)12-9(14)5-4-6-10(12)16/h4-6,16H,3,7-8H2,1-2H3
InChIKeyCOHMQFLTQSDTQQ-UHFFFAOYSA-N
MW269.27 g/mol
LogP1.56
Rot. Bonds5

About ethyl 3-[(2-fluoro-6-hydroxybenzoyl)-methylamino]propanoate

ethyl 3-[(2-fluoro-6-hydroxybenzoyl)-methylamino]propanoate (PubChem CID 104917099) has the molecular formula C13H16FNO4 and a molecular weight of 269.27 g/mol. Its IUPAC name is ethyl 3-[(2-fluoro-6-hydroxybenzoyl)-methylamino]propanoate.

Molecular Properties

Compound Nameethyl 3-[(2-fluoro-6-hydroxybenzoyl)-methylamino]propanoate
PubChem CID104917099
Molecular FormulaC13H16FNO4
Molecular Weight269.27 g/mol
Exact Mass269.11
IUPAC Nameethyl 3-[(2-fluoro-6-hydroxybenzoyl)-methylamino]propanoate
SMILESCCOC(=O)CCN(C)C(=O)c1c(O)cccc1F
InChIInChI=1S/C13H16FNO4/c1-3-19-11(17)7-8-15(2)13(18)12-9(14)5-4-6-10(12)16/h4-6,16H,3,7-8H2,1-2H3
InChIKeyCOHMQFLTQSDTQQ-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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Related Compounds

ethyl 3-[(2-chloro-3-fluorobenzoyl)-methylamino]propanoate
CID 79035694
N-(3-aminobutyl)-2-fluoro-6-hydroxy-N-methylbenzamide
CID 107017124
ethyl 3-[(4-fluoro-2-hydroxybenzoyl)-methylamino]propanoate
CID 103829871
methyl 3-[(2-bromo-6-fluorobenzoyl)-methylamino]propanoate
CID 115681679
N-(2-aminoethyl)-2,6-difluoro-N-methylbenzamide
CID 61350833
ethyl 3-[(2,3-difluorophenyl)methyl-methylamino]propanoate
CID 62012016
tert-butyl 3-[(2,6-dihydroxybenzoyl)-methylamino]propanoate
CID 122149686
N-(2-amino-2-sulfanylideneethyl)-2-fluoro-6-hydroxy-N-methylbenzamide
CID 107014890
ethyl 3-[(6-chloropyridine-2-carbonyl)-methylamino]propanoate
CID 62239281
2-fluoro-6-hydroxy-N-(2-hydroxy-2-methylpropyl)-N-methylbenzamide
CID 104919951
3-[(2-fluoro-6-methoxybenzoyl)-methylamino]propanoic acid
CID 65432056
N-(2-bromopropyl)-2-fluoro-6-hydroxy-N-methylbenzamide
CID 107016757

Frequently Asked Questions

What is the IUPAC name of ethyl 3-[(2-fluoro-6-hydroxybenzoyl)-methylamino]propanoate?
The IUPAC name of ethyl 3-[(2-fluoro-6-hydroxybenzoyl)-methylamino]propanoate (CID 104917099) is ethyl 3-[(2-fluoro-6-hydroxybenzoyl)-methylamino]propanoate.
What is the SMILES notation for ethyl 3-[(2-fluoro-6-hydroxybenzoyl)-methylamino]propanoate?
The canonical SMILES for ethyl 3-[(2-fluoro-6-hydroxybenzoyl)-methylamino]propanoate is CCOC(=O)CCN(C)C(=O)c1c(O)cccc1F.
What is the InChIKey of ethyl 3-[(2-fluoro-6-hydroxybenzoyl)-methylamino]propanoate?
The InChIKey is COHMQFLTQSDTQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16FNO4/c1-3-19-11(17)7-8-15(2)13(18)12-9(14)5-4-6-10(12)16/h4-6,16H,3,7-8H2,1-2H3.
What are the key properties of ethyl 3-[(2-fluoro-6-hydroxybenzoyl)-methylamino]propanoate?
ethyl 3-[(2-fluoro-6-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-[(2-fluoro-6-hydroxybenzoyl)-methylamino]propanoate is sourced from PubChem (CID 104917099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).