methyl 2-[(4-fluorobenzoyl)amino]propanoate

C11H12FNO3 — CID 531396

IUPACmethyl 2-[(4-fluorobenzoyl)amino]propanoate
SMILESCOC(=O)C(C)NC(=O)c1ccc(F)cc1
InChIInChI=1S/C11H12FNO3/c1-7(11(15)16-2)13-10(14)8-3-5-9(12)6-4-8/h3-7H,1-2H3,(H,13,14)
InChIKeyPOYLPTDTELHZFX-UHFFFAOYSA-N
MW225.22 g/mol
LogP1.12
Rot. Bonds3

About methyl 2-[(4-fluorobenzoyl)amino]propanoate

methyl 2-[(4-fluorobenzoyl)amino]propanoate (PubChem CID 531396) has the molecular formula C11H12FNO3 and a molecular weight of 225.22 g/mol. Its IUPAC name is methyl 2-[(4-fluorobenzoyl)amino]propanoate.

Molecular Properties

Compound Namemethyl 2-[(4-fluorobenzoyl)amino]propanoate
PubChem CID531396
Molecular FormulaC11H12FNO3
Molecular Weight225.22 g/mol
Exact Mass225.08
IUPAC Namemethyl 2-[(4-fluorobenzoyl)amino]propanoate
SMILESCOC(=O)C(C)NC(=O)c1ccc(F)cc1
InChIInChI=1S/C11H12FNO3/c1-7(11(15)16-2)13-10(14)8-3-5-9(12)6-4-8/h3-7H,1-2H3,(H,13,14)
InChIKeyPOYLPTDTELHZFX-UHFFFAOYSA-N
XLogP1.12
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.22
LogP ≤ 51.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of methyl 2-[(4-fluorobenzoyl)amino]propanoate?
The IUPAC name of methyl 2-[(4-fluorobenzoyl)amino]propanoate (CID 531396) is methyl 2-[(4-fluorobenzoyl)amino]propanoate.
What is the SMILES notation for methyl 2-[(4-fluorobenzoyl)amino]propanoate?
The canonical SMILES for methyl 2-[(4-fluorobenzoyl)amino]propanoate is COC(=O)C(C)NC(=O)c1ccc(F)cc1.
What is the InChIKey of methyl 2-[(4-fluorobenzoyl)amino]propanoate?
The InChIKey is POYLPTDTELHZFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12FNO3/c1-7(11(15)16-2)13-10(14)8-3-5-9(12)6-4-8/h3-7H,1-2H3,(H,13,14).
What are the key properties of methyl 2-[(4-fluorobenzoyl)amino]propanoate?
methyl 2-[(4-fluorobenzoyl)amino]propanoate has a molecular weight of 225.22 g/mol, XLogP of 1.12, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(4-fluorobenzoyl)amino]propanoate is sourced from PubChem (CID 531396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).