methyl 3-[(3-fluorobenzoyl)-methylamino]propanoate

C12H14FNO3 — CID 54980078

IUPACmethyl 3-[(3-fluorobenzoyl)-methylamino]propanoate
SMILESCOC(=O)CCN(C)C(=O)c1cccc(F)c1
InChIInChI=1S/C12H14FNO3/c1-14(7-6-11(15)17-2)12(16)9-4-3-5-10(13)8-9/h3-5,8H,6-7H2,1-2H3
InChIKeyLHVSVZQVVNSRKW-UHFFFAOYSA-N
MW239.25 g/mol
LogP1.46
Rot. Bonds4

About methyl 3-[(3-fluorobenzoyl)-methylamino]propanoate

methyl 3-[(3-fluorobenzoyl)-methylamino]propanoate (PubChem CID 54980078) has the molecular formula C12H14FNO3 and a molecular weight of 239.25 g/mol. Its IUPAC name is methyl 3-[(3-fluorobenzoyl)-methylamino]propanoate.

Molecular Properties

Compound Namemethyl 3-[(3-fluorobenzoyl)-methylamino]propanoate
PubChem CID54980078
Molecular FormulaC12H14FNO3
Molecular Weight239.25 g/mol
Exact Mass239.10
IUPAC Namemethyl 3-[(3-fluorobenzoyl)-methylamino]propanoate
SMILESCOC(=O)CCN(C)C(=O)c1cccc(F)c1
InChIInChI=1S/C12H14FNO3/c1-14(7-6-11(15)17-2)12(16)9-4-3-5-10(13)8-9/h3-5,8H,6-7H2,1-2H3
InChIKeyLHVSVZQVVNSRKW-UHFFFAOYSA-N
XLogP1.46
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.25
LogP ≤ 51.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze methyl 3-[(3-fluorobenzoyl)-methylamino]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 3-[(3-fluorobenzoyl)-methylamino]propanoate?
The IUPAC name of methyl 3-[(3-fluorobenzoyl)-methylamino]propanoate (CID 54980078) is methyl 3-[(3-fluorobenzoyl)-methylamino]propanoate.
What is the SMILES notation for methyl 3-[(3-fluorobenzoyl)-methylamino]propanoate?
The canonical SMILES for methyl 3-[(3-fluorobenzoyl)-methylamino]propanoate is COC(=O)CCN(C)C(=O)c1cccc(F)c1.
What is the InChIKey of methyl 3-[(3-fluorobenzoyl)-methylamino]propanoate?
The InChIKey is LHVSVZQVVNSRKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14FNO3/c1-14(7-6-11(15)17-2)12(16)9-4-3-5-10(13)8-9/h3-5,8H,6-7H2,1-2H3.
What are the key properties of methyl 3-[(3-fluorobenzoyl)-methylamino]propanoate?
methyl 3-[(3-fluorobenzoyl)-methylamino]propanoate has a molecular weight of 239.25 g/mol, XLogP of 1.46, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[(3-fluorobenzoyl)-methylamino]propanoate is sourced from PubChem (CID 54980078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).