methyl 5-(4-fluorophenyl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-4-oxopentanoate

C17H22FNO5 — CID 67370689

IUPACmethyl 5-(4-fluorophenyl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-4-oxopentanoate
SMILESCOC(=O)C(CC(=O)Cc1ccc(F)cc1)NC(=O)OC(C)(C)C
InChIInChI=1S/C17H22FNO5/c1-17(2,3)24-16(22)19-14(15(21)23-4)10-13(20)9-11-5-7-12(18)8-6-11/h5-8,14H,9-10H2,1-4H3,(H,19,22)
InChIKeyYRUQRKBTXYYVLP-UHFFFAOYSA-N
MW339.36 g/mol
LogP2.39
Rot. Bonds6

About methyl 5-(4-fluorophenyl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-4-oxopentanoate

methyl 5-(4-fluorophenyl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-4-oxopentanoate (PubChem CID 67370689) has the molecular formula C17H22FNO5 and a molecular weight of 339.36 g/mol. Its IUPAC name is methyl 5-(4-fluorophenyl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-4-oxopentanoate.

Molecular Properties

Compound Namemethyl 5-(4-fluorophenyl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-4-oxopentanoate
PubChem CID67370689
Molecular FormulaC17H22FNO5
Molecular Weight339.36 g/mol
Exact Mass339.15
IUPAC Namemethyl 5-(4-fluorophenyl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-4-oxopentanoate
SMILESCOC(=O)C(CC(=O)Cc1ccc(F)cc1)NC(=O)OC(C)(C)C
InChIInChI=1S/C17H22FNO5/c1-17(2,3)24-16(22)19-14(15(21)23-4)10-13(20)9-11-5-7-12(18)8-6-11/h5-8,14H,9-10H2,1-4H3,(H,19,22)
InChIKeyYRUQRKBTXYYVLP-UHFFFAOYSA-N
XLogP2.39
TPSA81.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.36
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl 5-(4-fluorophenyl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-4-oxopentanoate?
The IUPAC name of methyl 5-(4-fluorophenyl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-4-oxopentanoate (CID 67370689) is methyl 5-(4-fluorophenyl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-4-oxopentanoate.
What is the SMILES notation for methyl 5-(4-fluorophenyl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-4-oxopentanoate?
The canonical SMILES for methyl 5-(4-fluorophenyl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-4-oxopentanoate is COC(=O)C(CC(=O)Cc1ccc(F)cc1)NC(=O)OC(C)(C)C.
What is the InChIKey of methyl 5-(4-fluorophenyl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-4-oxopentanoate?
The InChIKey is YRUQRKBTXYYVLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22FNO5/c1-17(2,3)24-16(22)19-14(15(21)23-4)10-13(20)9-11-5-7-12(18)8-6-11/h5-8,14H,9-10H2,1-4H3,(H,19,22).
What are the key properties of methyl 5-(4-fluorophenyl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-4-oxopentanoate?
methyl 5-(4-fluorophenyl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-4-oxopentanoate has a molecular weight of 339.36 g/mol, XLogP of 2.39, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-(4-fluorophenyl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-4-oxopentanoate is sourced from PubChem (CID 67370689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).