methyl 2-[(2-fluoropyridine-4-carbonyl)amino]propanoate

C10H11FN2O3 — CID 61499841

IUPACmethyl 2-[(2-fluoropyridine-4-carbonyl)amino]propanoate
SMILESCOC(=O)C(C)NC(=O)c1ccnc(F)c1
InChIInChI=1S/C10H11FN2O3/c1-6(10(15)16-2)13-9(14)7-3-4-12-8(11)5-7/h3-6H,1-2H3,(H,13,14)
InChIKeyQVJRHKQRFYYKIO-UHFFFAOYSA-N
MW226.21 g/mol
LogP0.51
Rot. Bonds3

About methyl 2-[(2-fluoropyridine-4-carbonyl)amino]propanoate

methyl 2-[(2-fluoropyridine-4-carbonyl)amino]propanoate (PubChem CID 61499841) has the molecular formula C10H11FN2O3 and a molecular weight of 226.21 g/mol. Its IUPAC name is methyl 2-[(2-fluoropyridine-4-carbonyl)amino]propanoate.

Molecular Properties

Compound Namemethyl 2-[(2-fluoropyridine-4-carbonyl)amino]propanoate
PubChem CID61499841
Molecular FormulaC10H11FN2O3
Molecular Weight226.21 g/mol
Exact Mass226.08
IUPAC Namemethyl 2-[(2-fluoropyridine-4-carbonyl)amino]propanoate
SMILESCOC(=O)C(C)NC(=O)c1ccnc(F)c1
InChIInChI=1S/C10H11FN2O3/c1-6(10(15)16-2)13-9(14)7-3-4-12-8(11)5-7/h3-6H,1-2H3,(H,13,14)
InChIKeyQVJRHKQRFYYKIO-UHFFFAOYSA-N
XLogP0.51
TPSA68.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.21
LogP ≤ 50.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Analyze methyl 2-[(2-fluoropyridine-4-carbonyl)amino]propanoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of methyl 2-[(2-fluoropyridine-4-carbonyl)amino]propanoate?
The IUPAC name of methyl 2-[(2-fluoropyridine-4-carbonyl)amino]propanoate (CID 61499841) is methyl 2-[(2-fluoropyridine-4-carbonyl)amino]propanoate.
What is the SMILES notation for methyl 2-[(2-fluoropyridine-4-carbonyl)amino]propanoate?
The canonical SMILES for methyl 2-[(2-fluoropyridine-4-carbonyl)amino]propanoate is COC(=O)C(C)NC(=O)c1ccnc(F)c1.
What is the InChIKey of methyl 2-[(2-fluoropyridine-4-carbonyl)amino]propanoate?
The InChIKey is QVJRHKQRFYYKIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11FN2O3/c1-6(10(15)16-2)13-9(14)7-3-4-12-8(11)5-7/h3-6H,1-2H3,(H,13,14).
What are the key properties of methyl 2-[(2-fluoropyridine-4-carbonyl)amino]propanoate?
methyl 2-[(2-fluoropyridine-4-carbonyl)amino]propanoate has a molecular weight of 226.21 g/mol, XLogP of 0.51, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(2-fluoropyridine-4-carbonyl)amino]propanoate is sourced from PubChem (CID 61499841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).