methyl 2-[(4-fluoro-2-hydroxybenzoyl)amino]propanoate

C11H12FNO4 — CID 107015165

IUPACmethyl 2-[(4-fluoro-2-hydroxybenzoyl)amino]propanoate
SMILESCOC(=O)C(C)NC(=O)c1ccc(F)cc1O
InChIInChI=1S/C11H12FNO4/c1-6(11(16)17-2)13-10(15)8-4-3-7(12)5-9(8)14/h3-6,14H,1-2H3,(H,13,15)
InChIKeyFMHQKLHEMIQZFZ-UHFFFAOYSA-N
MW241.22 g/mol
LogP0.82
Rot. Bonds3

About methyl 2-[(4-fluoro-2-hydroxybenzoyl)amino]propanoate

methyl 2-[(4-fluoro-2-hydroxybenzoyl)amino]propanoate (PubChem CID 107015165) has the molecular formula C11H12FNO4 and a molecular weight of 241.22 g/mol. Its IUPAC name is methyl 2-[(4-fluoro-2-hydroxybenzoyl)amino]propanoate.

Molecular Properties

Compound Namemethyl 2-[(4-fluoro-2-hydroxybenzoyl)amino]propanoate
PubChem CID107015165
Molecular FormulaC11H12FNO4
Molecular Weight241.22 g/mol
Exact Mass241.08
IUPAC Namemethyl 2-[(4-fluoro-2-hydroxybenzoyl)amino]propanoate
SMILESCOC(=O)C(C)NC(=O)c1ccc(F)cc1O
InChIInChI=1S/C11H12FNO4/c1-6(11(16)17-2)13-10(15)8-4-3-7(12)5-9(8)14/h3-6,14H,1-2H3,(H,13,15)
InChIKeyFMHQKLHEMIQZFZ-UHFFFAOYSA-N
XLogP0.82
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.22
LogP ≤ 50.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

methyl (2S)-2-[(2-bromo-4-fluorobenzoyl)amino]propanoate
CID 61141421
N-[1-(ethylamino)-1-oxopropan-2-yl]-4-fluoro-2-hydroxybenzamide
CID 113304525
ethyl 2-[(5-fluoro-2-hydroxybenzoyl)amino]propanoate
CID 115298966
4-fluoro-2-hydroxy-N-(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)benzamide
CID 103874932
4-fluoro-2-hydroxy-N-(2-methoxypropyl)benzamide
CID 102737733
4-fluoro-N-hexan-2-yl-2-hydroxybenzamide
CID 107015212
methyl 2-[(3-amino-2,5-difluorobenzoyl)amino]propanoate
CID 107120864
methyl (2S)-2-[(3,5-difluorobenzoyl)amino]propanoate
CID 47337377
N-(1-chloro-4-methoxybutan-2-yl)-4-fluoro-2-hydroxybenzamide
CID 114211943
4-fluoro-2-hydroxy-N-[(2-methylpropan-2-yl)oxy]benzamide
CID 91646563
ethyl 2-[(2-bromo-4-fluorobenzoyl)amino]propanoate
CID 61498783
N-[1-(diethylamino)propan-2-yl]-4-fluoro-2-hydroxybenzamide
CID 103829876

Frequently Asked Questions

What is the IUPAC name of methyl 2-[(4-fluoro-2-hydroxybenzoyl)amino]propanoate?
The IUPAC name of methyl 2-[(4-fluoro-2-hydroxybenzoyl)amino]propanoate (CID 107015165) is methyl 2-[(4-fluoro-2-hydroxybenzoyl)amino]propanoate.
What is the SMILES notation for methyl 2-[(4-fluoro-2-hydroxybenzoyl)amino]propanoate?
The canonical SMILES for methyl 2-[(4-fluoro-2-hydroxybenzoyl)amino]propanoate is COC(=O)C(C)NC(=O)c1ccc(F)cc1O.
What is the InChIKey of methyl 2-[(4-fluoro-2-hydroxybenzoyl)amino]propanoate?
The InChIKey is FMHQKLHEMIQZFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12FNO4/c1-6(11(16)17-2)13-10(15)8-4-3-7(12)5-9(8)14/h3-6,14H,1-2H3,(H,13,15).
What are the key properties of methyl 2-[(4-fluoro-2-hydroxybenzoyl)amino]propanoate?
methyl 2-[(4-fluoro-2-hydroxybenzoyl)amino]propanoate has a molecular weight of 241.22 g/mol, XLogP of 0.82, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(4-fluoro-2-hydroxybenzoyl)amino]propanoate is sourced from PubChem (CID 107015165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).