methyl 2-(3-fluorophenyl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]acetate

C14H18FNO4 — CID 90119666

IUPACmethyl 2-(3-fluorophenyl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]acetate
SMILESCOC(=O)C(NC(=O)OC(C)(C)C)c1cccc(F)c1
InChIInChI=1S/C14H18FNO4/c1-14(2,3)20-13(18)16-11(12(17)19-4)9-6-5-7-10(15)8-9/h5-8,11H,1-4H3,(H,16,18)
InChIKeyHTZIRMPFISUFJB-UHFFFAOYSA-N
MW283.30 g/mol
LogP2.56
Rot. Bonds3

About methyl 2-(3-fluorophenyl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]acetate

methyl 2-(3-fluorophenyl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]acetate (PubChem CID 90119666) has the molecular formula C14H18FNO4 and a molecular weight of 283.30 g/mol. Its IUPAC name is methyl 2-(3-fluorophenyl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]acetate.

Molecular Properties

Compound Namemethyl 2-(3-fluorophenyl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]acetate
PubChem CID90119666
Molecular FormulaC14H18FNO4
Molecular Weight283.30 g/mol
Exact Mass283.12
IUPAC Namemethyl 2-(3-fluorophenyl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]acetate
SMILESCOC(=O)C(NC(=O)OC(C)(C)C)c1cccc(F)c1
InChIInChI=1S/C14H18FNO4/c1-14(2,3)20-13(18)16-11(12(17)19-4)9-6-5-7-10(15)8-9/h5-8,11H,1-4H3,(H,16,18)
InChIKeyHTZIRMPFISUFJB-UHFFFAOYSA-N
XLogP2.56
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.30
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl 2-(3-fluorophenyl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]acetate?
The IUPAC name of methyl 2-(3-fluorophenyl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]acetate (CID 90119666) is methyl 2-(3-fluorophenyl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]acetate.
What is the SMILES notation for methyl 2-(3-fluorophenyl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]acetate?
The canonical SMILES for methyl 2-(3-fluorophenyl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]acetate is COC(=O)C(NC(=O)OC(C)(C)C)c1cccc(F)c1.
What is the InChIKey of methyl 2-(3-fluorophenyl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]acetate?
The InChIKey is HTZIRMPFISUFJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18FNO4/c1-14(2,3)20-13(18)16-11(12(17)19-4)9-6-5-7-10(15)8-9/h5-8,11H,1-4H3,(H,16,18).
What are the key properties of methyl 2-(3-fluorophenyl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]acetate?
methyl 2-(3-fluorophenyl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]acetate has a molecular weight of 283.30 g/mol, XLogP of 2.56, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(3-fluorophenyl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]acetate is sourced from PubChem (CID 90119666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).