methyl 2-[(5-fluoro-2-hydroxybenzoyl)-methylamino]acetate

C11H12FNO4 — CID 115298884

IUPACmethyl 2-[(5-fluoro-2-hydroxybenzoyl)-methylamino]acetate
SMILESCOC(=O)CN(C)C(=O)c1cc(F)ccc1O
InChIInChI=1S/C11H12FNO4/c1-13(6-10(15)17-2)11(16)8-5-7(12)3-4-9(8)14/h3-5,14H,6H2,1-2H3
InChIKeyDCGOLGDFVNOJSH-UHFFFAOYSA-N
MW241.22 g/mol
LogP0.78
Rot. Bonds3

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

methyl 2-[(5-fluoro-2-hydroxybenzoyl)-methylamino]acetate (PubChem CID 115298884) has the molecular formula C11H12FNO4 and a molecular weight of 241.22 g/mol. Its IUPAC name is methyl 2-[(5-fluoro-2-hydroxybenzoyl)-methylamino]acetate.

Molecular Properties

Compound Namemethyl 2-[(5-fluoro-2-hydroxybenzoyl)-methylamino]acetate
PubChem CID115298884
Molecular FormulaC11H12FNO4
Molecular Weight241.22 g/mol
Exact Mass241.08
IUPAC Namemethyl 2-[(5-fluoro-2-hydroxybenzoyl)-methylamino]acetate
SMILESCOC(=O)CN(C)C(=O)c1cc(F)ccc1O
InChIInChI=1S/C11H12FNO4/c1-13(6-10(15)17-2)11(16)8-5-7(12)3-4-9(8)14/h3-5,14H,6H2,1-2H3
InChIKeyDCGOLGDFVNOJSH-UHFFFAOYSA-N
XLogP0.78
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.22
LogP ≤ 50.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-fluoro-2-hydroxy-N-[2-(2-hydroxyethoxy)ethyl]-N-methylbenzamide
CID 114242556
methyl 2-[(2,4-dihydroxybenzoyl)-methylamino]acetate
CID 43422761
N-(2-bromoethyl)-5-fluoro-2-hydroxy-N-methylbenzamide
CID 115299557
N-(cyclobutylmethyl)-5-fluoro-2-hydroxy-N-methylbenzamide
CID 79882440
5-fluoro-2-hydroxy-N-[(2-methoxyphenyl)methyl]-N-methylbenzamide
CID 79882419
methyl 2-[4-[(5-fluoro-2-hydroxybenzoyl)-methylamino]phenoxy]acetate
CID 122149828
N-(2-aminopropyl)-5-fluoro-2-hydroxy-N-methylbenzamide
CID 115299640
methyl 2-[(4-chloro-2-fluorobenzoyl)-methylamino]acetate
CID 43408243
5-fluoro-2-hydroxy-N-(5-hydroxypentyl)-N-methylbenzamide
CID 107200248
methyl 2-[(5-fluoro-2-methylbenzoyl)-(2-methoxy-2-oxoethyl)amino]acetate
CID 63047935
methyl 2-[(4-hydroxy-3-methoxybenzoyl)-methylamino]acetate
CID 110465943
N-(5-aminopentyl)-5-fluoro-2-hydroxy-N-methylbenzamide
CID 107206606

Frequently Asked Questions

What is the IUPAC name of methyl 2-[(5-fluoro-2-hydroxybenzoyl)-methylamino]acetate?
The IUPAC name of methyl 2-[(5-fluoro-2-hydroxybenzoyl)-methylamino]acetate (CID 115298884) is methyl 2-[(5-fluoro-2-hydroxybenzoyl)-methylamino]acetate.
What is the SMILES notation for methyl 2-[(5-fluoro-2-hydroxybenzoyl)-methylamino]acetate?
The canonical SMILES for methyl 2-[(5-fluoro-2-hydroxybenzoyl)-methylamino]acetate is COC(=O)CN(C)C(=O)c1cc(F)ccc1O.
What is the InChIKey of methyl 2-[(5-fluoro-2-hydroxybenzoyl)-methylamino]acetate?
The InChIKey is DCGOLGDFVNOJSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12FNO4/c1-13(6-10(15)17-2)11(16)8-5-7(12)3-4-9(8)14/h3-5,14H,6H2,1-2H3.
What are the key properties of methyl 2-[(5-fluoro-2-hydroxybenzoyl)-methylamino]acetate?
methyl 2-[(5-fluoro-2-hydroxybenzoyl)-methylamino]acetate has a molecular weight of 241.22 g/mol, XLogP of 0.78, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(5-fluoro-2-hydroxybenzoyl)-methylamino]acetate is sourced from PubChem (CID 115298884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).