methyl 3-[dimethylamino-(2-fluorobenzoyl)amino]propanoate

C13H17FN2O3 — CID 24835172

IUPACmethyl 3-[dimethylamino-(2-fluorobenzoyl)amino]propanoate
SMILESCOC(=O)CCN(C(=O)c1ccccc1F)N(C)C
InChIInChI=1S/C13H17FN2O3/c1-15(2)16(9-8-12(17)19-3)13(18)10-6-4-5-7-11(10)14/h4-7H,8-9H2,1-3H3
InChIKeyWUZZXPSGJPKJRH-UHFFFAOYSA-N
MW268.29 g/mol
LogP1.31
Rot. Bonds5

About methyl 3-[dimethylamino-(2-fluorobenzoyl)amino]propanoate

methyl 3-[dimethylamino-(2-fluorobenzoyl)amino]propanoate (PubChem CID 24835172) has the molecular formula C13H17FN2O3 and a molecular weight of 268.29 g/mol. Its IUPAC name is methyl 3-[dimethylamino-(2-fluorobenzoyl)amino]propanoate.

Molecular Properties

Compound Namemethyl 3-[dimethylamino-(2-fluorobenzoyl)amino]propanoate
PubChem CID24835172
Molecular FormulaC13H17FN2O3
Molecular Weight268.29 g/mol
Exact Mass268.12
IUPAC Namemethyl 3-[dimethylamino-(2-fluorobenzoyl)amino]propanoate
SMILESCOC(=O)CCN(C(=O)c1ccccc1F)N(C)C
InChIInChI=1S/C13H17FN2O3/c1-15(2)16(9-8-12(17)19-3)13(18)10-6-4-5-7-11(10)14/h4-7H,8-9H2,1-3H3
InChIKeyWUZZXPSGJPKJRH-UHFFFAOYSA-N
XLogP1.31
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.29
LogP ≤ 51.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of methyl 3-[dimethylamino-(2-fluorobenzoyl)amino]propanoate?
The IUPAC name of methyl 3-[dimethylamino-(2-fluorobenzoyl)amino]propanoate (CID 24835172) is methyl 3-[dimethylamino-(2-fluorobenzoyl)amino]propanoate.
What is the SMILES notation for methyl 3-[dimethylamino-(2-fluorobenzoyl)amino]propanoate?
The canonical SMILES for methyl 3-[dimethylamino-(2-fluorobenzoyl)amino]propanoate is COC(=O)CCN(C(=O)c1ccccc1F)N(C)C.
What is the InChIKey of methyl 3-[dimethylamino-(2-fluorobenzoyl)amino]propanoate?
The InChIKey is WUZZXPSGJPKJRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17FN2O3/c1-15(2)16(9-8-12(17)19-3)13(18)10-6-4-5-7-11(10)14/h4-7H,8-9H2,1-3H3.
What are the key properties of methyl 3-[dimethylamino-(2-fluorobenzoyl)amino]propanoate?
methyl 3-[dimethylamino-(2-fluorobenzoyl)amino]propanoate has a molecular weight of 268.29 g/mol, XLogP of 1.31, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[dimethylamino-(2-fluorobenzoyl)amino]propanoate is sourced from PubChem (CID 24835172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).