methyl 2-[(4-fluorophenyl)carbamoylamino]-2-methylpropanoate

C12H15FN2O3 — CID 3054225

IUPACmethyl 2-[(4-fluorophenyl)carbamoylamino]-2-methylpropanoate
SMILESCOC(=O)C(C)(C)NC(=O)Nc1ccc(F)cc1
InChIInChI=1S/C12H15FN2O3/c1-12(2,10(16)18-3)15-11(17)14-9-6-4-8(13)5-7-9/h4-7H,1-3H3,(H2,14,15,17)
InChIKeyCRXVVILFPVTWBG-UHFFFAOYSA-N
MW254.26 g/mol
LogP1.90
Rot. Bonds3

About methyl 2-[(4-fluorophenyl)carbamoylamino]-2-methylpropanoate

methyl 2-[(4-fluorophenyl)carbamoylamino]-2-methylpropanoate (PubChem CID 3054225) has the molecular formula C12H15FN2O3 and a molecular weight of 254.26 g/mol. Its IUPAC name is methyl 2-[(4-fluorophenyl)carbamoylamino]-2-methylpropanoate.

Molecular Properties

Compound Namemethyl 2-[(4-fluorophenyl)carbamoylamino]-2-methylpropanoate
PubChem CID3054225
Molecular FormulaC12H15FN2O3
Molecular Weight254.26 g/mol
Exact Mass254.11
IUPAC Namemethyl 2-[(4-fluorophenyl)carbamoylamino]-2-methylpropanoate
SMILESCOC(=O)C(C)(C)NC(=O)Nc1ccc(F)cc1
InChIInChI=1S/C12H15FN2O3/c1-12(2,10(16)18-3)15-11(17)14-9-6-4-8(13)5-7-9/h4-7H,1-3H3,(H2,14,15,17)
InChIKeyCRXVVILFPVTWBG-UHFFFAOYSA-N
XLogP1.90
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.26
LogP ≤ 51.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of methyl 2-[(4-fluorophenyl)carbamoylamino]-2-methylpropanoate?
The IUPAC name of methyl 2-[(4-fluorophenyl)carbamoylamino]-2-methylpropanoate (CID 3054225) is methyl 2-[(4-fluorophenyl)carbamoylamino]-2-methylpropanoate.
What is the SMILES notation for methyl 2-[(4-fluorophenyl)carbamoylamino]-2-methylpropanoate?
The canonical SMILES for methyl 2-[(4-fluorophenyl)carbamoylamino]-2-methylpropanoate is COC(=O)C(C)(C)NC(=O)Nc1ccc(F)cc1.
What is the InChIKey of methyl 2-[(4-fluorophenyl)carbamoylamino]-2-methylpropanoate?
The InChIKey is CRXVVILFPVTWBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15FN2O3/c1-12(2,10(16)18-3)15-11(17)14-9-6-4-8(13)5-7-9/h4-7H,1-3H3,(H2,14,15,17).
What are the key properties of methyl 2-[(4-fluorophenyl)carbamoylamino]-2-methylpropanoate?
methyl 2-[(4-fluorophenyl)carbamoylamino]-2-methylpropanoate has a molecular weight of 254.26 g/mol, XLogP of 1.90, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(4-fluorophenyl)carbamoylamino]-2-methylpropanoate is sourced from PubChem (CID 3054225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).