ethyl 2-[(2S)-2-(3-fluorophenyl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]ethoxy]acetate

C17H24FNO5 — CID 70846803

IUPACethyl 2-[(2S)-2-(3-fluorophenyl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]ethoxy]acetate
SMILESCCOC(=O)COC[C@@H](NC(=O)OC(C)(C)C)c1cccc(F)c1
InChIInChI=1S/C17H24FNO5/c1-5-23-15(20)11-22-10-14(12-7-6-8-13(18)9-12)19-16(21)24-17(2,3)4/h6-9,14H,5,10-11H2,1-4H3,(H,19,21)/t14-/m1/s1
InChIKeyHMTYHGDMJISLAK-CQSZACIVSA-N
MW341.38 g/mol
LogP2.97
Rot. Bonds7

About ethyl 2-[(2S)-2-(3-fluorophenyl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]ethoxy]acetate

ethyl 2-[(2S)-2-(3-fluorophenyl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]ethoxy]acetate (PubChem CID 70846803) has the molecular formula C17H24FNO5 and a molecular weight of 341.38 g/mol. Its IUPAC name is ethyl 2-[(2S)-2-(3-fluorophenyl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]ethoxy]acetate.

Molecular Properties

Compound Nameethyl 2-[(2S)-2-(3-fluorophenyl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]ethoxy]acetate
PubChem CID70846803
Molecular FormulaC17H24FNO5
Molecular Weight341.38 g/mol
Exact Mass341.16
IUPAC Nameethyl 2-[(2S)-2-(3-fluorophenyl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]ethoxy]acetate
SMILESCCOC(=O)COC[C@@H](NC(=O)OC(C)(C)C)c1cccc(F)c1
InChIInChI=1S/C17H24FNO5/c1-5-23-15(20)11-22-10-14(12-7-6-8-13(18)9-12)19-16(21)24-17(2,3)4/h6-9,14H,5,10-11H2,1-4H3,(H,19,21)/t14-/m1/s1
InChIKeyHMTYHGDMJISLAK-CQSZACIVSA-N
XLogP2.97
TPSA73.86 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.38
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-[(2S)-2-(3-fluorophenyl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]ethoxy]acetate?
The IUPAC name of ethyl 2-[(2S)-2-(3-fluorophenyl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]ethoxy]acetate (CID 70846803) is ethyl 2-[(2S)-2-(3-fluorophenyl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]ethoxy]acetate.
What is the SMILES notation for ethyl 2-[(2S)-2-(3-fluorophenyl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]ethoxy]acetate?
The canonical SMILES for ethyl 2-[(2S)-2-(3-fluorophenyl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]ethoxy]acetate is CCOC(=O)COC[C@@H](NC(=O)OC(C)(C)C)c1cccc(F)c1.
What is the InChIKey of ethyl 2-[(2S)-2-(3-fluorophenyl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]ethoxy]acetate?
The InChIKey is HMTYHGDMJISLAK-CQSZACIVSA-N. The full InChI is InChI=1S/C17H24FNO5/c1-5-23-15(20)11-22-10-14(12-7-6-8-13(18)9-12)19-16(21)24-17(2,3)4/h6-9,14H,5,10-11H2,1-4H3,(H,19,21)/t14-/m1/s1.
What are the key properties of ethyl 2-[(2S)-2-(3-fluorophenyl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]ethoxy]acetate?
ethyl 2-[(2S)-2-(3-fluorophenyl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]ethoxy]acetate has a molecular weight of 341.38 g/mol, XLogP of 2.97, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[(2S)-2-(3-fluorophenyl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]ethoxy]acetate is sourced from PubChem (CID 70846803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).