methyl 2-[(2-amino-5-fluorobenzoyl)amino]propanoate

C11H13FN2O3 — CID 60780374

IUPACmethyl 2-[(2-amino-5-fluorobenzoyl)amino]propanoate
SMILESCOC(=O)C(C)NC(=O)c1cc(F)ccc1N
InChIInChI=1S/C11H13FN2O3/c1-6(11(16)17-2)14-10(15)8-5-7(12)3-4-9(8)13/h3-6H,13H2,1-2H3,(H,14,15)
InChIKeyLYUXOSRJCOZZMU-UHFFFAOYSA-N
MW240.23 g/mol
LogP0.70
Rot. Bonds3

About methyl 2-[(2-amino-5-fluorobenzoyl)amino]propanoate

methyl 2-[(2-amino-5-fluorobenzoyl)amino]propanoate (PubChem CID 60780374) has the molecular formula C11H13FN2O3 and a molecular weight of 240.23 g/mol. Its IUPAC name is methyl 2-[(2-amino-5-fluorobenzoyl)amino]propanoate.

Molecular Properties

Compound Namemethyl 2-[(2-amino-5-fluorobenzoyl)amino]propanoate
PubChem CID60780374
Molecular FormulaC11H13FN2O3
Molecular Weight240.23 g/mol
Exact Mass240.09
IUPAC Namemethyl 2-[(2-amino-5-fluorobenzoyl)amino]propanoate
SMILESCOC(=O)C(C)NC(=O)c1cc(F)ccc1N
InChIInChI=1S/C11H13FN2O3/c1-6(11(16)17-2)14-10(15)8-5-7(12)3-4-9(8)13/h3-6H,13H2,1-2H3,(H,14,15)
InChIKeyLYUXOSRJCOZZMU-UHFFFAOYSA-N
XLogP0.70
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.23
LogP ≤ 50.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of methyl 2-[(2-amino-5-fluorobenzoyl)amino]propanoate?
The IUPAC name of methyl 2-[(2-amino-5-fluorobenzoyl)amino]propanoate (CID 60780374) is methyl 2-[(2-amino-5-fluorobenzoyl)amino]propanoate.
What is the SMILES notation for methyl 2-[(2-amino-5-fluorobenzoyl)amino]propanoate?
The canonical SMILES for methyl 2-[(2-amino-5-fluorobenzoyl)amino]propanoate is COC(=O)C(C)NC(=O)c1cc(F)ccc1N.
What is the InChIKey of methyl 2-[(2-amino-5-fluorobenzoyl)amino]propanoate?
The InChIKey is LYUXOSRJCOZZMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13FN2O3/c1-6(11(16)17-2)14-10(15)8-5-7(12)3-4-9(8)13/h3-6H,13H2,1-2H3,(H,14,15).
What are the key properties of methyl 2-[(2-amino-5-fluorobenzoyl)amino]propanoate?
methyl 2-[(2-amino-5-fluorobenzoyl)amino]propanoate has a molecular weight of 240.23 g/mol, XLogP of 0.70, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(2-amino-5-fluorobenzoyl)amino]propanoate is sourced from PubChem (CID 60780374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).