[(1R)-2-(cyclopropylamino)-2-oxo-1-phenylethyl] 2-(3-fluoro-4-methoxyphenyl)acetate

C20H20FNO4 — CID 8667519

IUPAC[(1R)-2-(cyclopropylamino)-2-oxo-1-phenylethyl] 2-(3-fluoro-4-methoxyphenyl)acetate
SMILESCOc1ccc(CC(=O)O[C@@H](C(=O)NC2CC2)c2ccccc2)cc1F
InChIInChI=1S/C20H20FNO4/c1-25-17-10-7-13(11-16(17)21)12-18(23)26-19(14-5-3-2-4-6-14)20(24)22-15-8-9-15/h2-7,10-11,15,19H,8-9,12H2,1H3,(H,22,24)/t19-/m1/s1
InChIKeyXOQAXWZTAXOCCD-LJQANCHMSA-N
MW357.38 g/mol
LogP2.94
Rot. Bonds7

About [(1R)-2-(cyclopropylamino)-2-oxo-1-phenylethyl] 2-(3-fluoro-4-methoxyphenyl)acetate

[(1R)-2-(cyclopropylamino)-2-oxo-1-phenylethyl] 2-(3-fluoro-4-methoxyphenyl)acetate (PubChem CID 8667519) has the molecular formula C20H20FNO4 and a molecular weight of 357.38 g/mol. Its IUPAC name is [(1R)-2-(cyclopropylamino)-2-oxo-1-phenylethyl] 2-(3-fluoro-4-methoxyphenyl)acetate.

Molecular Properties

Compound Name[(1R)-2-(cyclopropylamino)-2-oxo-1-phenylethyl] 2-(3-fluoro-4-methoxyphenyl)acetate
PubChem CID8667519
Molecular FormulaC20H20FNO4
Molecular Weight357.38 g/mol
Exact Mass357.14
IUPAC Name[(1R)-2-(cyclopropylamino)-2-oxo-1-phenylethyl] 2-(3-fluoro-4-methoxyphenyl)acetate
SMILESCOc1ccc(CC(=O)O[C@@H](C(=O)NC2CC2)c2ccccc2)cc1F
InChIInChI=1S/C20H20FNO4/c1-25-17-10-7-13(11-16(17)21)12-18(23)26-19(14-5-3-2-4-6-14)20(24)22-15-8-9-15/h2-7,10-11,15,19H,8-9,12H2,1H3,(H,22,24)/t19-/m1/s1
InChIKeyXOQAXWZTAXOCCD-LJQANCHMSA-N
XLogP2.94
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.38
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze [(1R)-2-(cyclopropylamino)-2-oxo-1-phenylethyl] 2-(3-fluoro-4-methoxyphenyl)acetate with MolForge

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Related Compounds

[2-(4-fluoroanilino)-2-oxo-1-phenylethyl] 2-(3-fluoro-4-methoxyphenyl)acetate
CID 46609750
[(2R)-1-(cyclopentylamino)-1-oxopropan-2-yl] 2-(3-fluoro-4-methoxyphenyl)acetate
CID 8667346
[(2R)-1-(cyclohexylamino)-1-oxopropan-2-yl] 2-(3-fluoro-4-methoxyphenyl)acetate
CID 8667306
3-(3-fluoro-4-methoxyphenyl)-1-methoxy-1-phenylpropan-2-one
CID 116751347
[2-(cyclopropylamino)-1-(4-fluorophenyl)-2-oxoethyl] 3-(2-methoxyphenyl)propanoate
CID 16589178
[(1R)-2-(cyclopropylamino)-2-oxo-1-phenylethyl] 3-(2-fluorophenyl)propanoate
CID 8514509
N-(4-aminocyclohexyl)-2-(3-fluoro-4-methoxyphenyl)acetamide
CID 119474491
[(2S)-1-(benzylamino)-1-oxopropan-2-yl] 2-(3-fluoro-4-methoxyphenyl)acetate
CID 8667211
[(2R)-1-(benzylamino)-1-oxopropan-2-yl] 2-(3-fluoro-4-methoxyphenyl)acetate
CID 8667212
[(1S)-2-(cyclopropylamino)-2-oxo-1-phenylethyl] 2-(4-formyl-2-methoxyphenoxy)acetate
CID 8600698
[2-(cyclopropylcarbamoylamino)-2-oxoethyl] 2-(3-fluoro-4-methoxyphenyl)acetate
CID 8667447
2-(3-fluoro-4-methoxyphenyl)-N-[(1R)-1-phenylethyl]acetamide
CID 9032944

Frequently Asked Questions

What is the IUPAC name of [(1R)-2-(cyclopropylamino)-2-oxo-1-phenylethyl] 2-(3-fluoro-4-methoxyphenyl)acetate?
The IUPAC name of [(1R)-2-(cyclopropylamino)-2-oxo-1-phenylethyl] 2-(3-fluoro-4-methoxyphenyl)acetate (CID 8667519) is [(1R)-2-(cyclopropylamino)-2-oxo-1-phenylethyl] 2-(3-fluoro-4-methoxyphenyl)acetate.
What is the SMILES notation for [(1R)-2-(cyclopropylamino)-2-oxo-1-phenylethyl] 2-(3-fluoro-4-methoxyphenyl)acetate?
The canonical SMILES for [(1R)-2-(cyclopropylamino)-2-oxo-1-phenylethyl] 2-(3-fluoro-4-methoxyphenyl)acetate is COc1ccc(CC(=O)O[C@@H](C(=O)NC2CC2)c2ccccc2)cc1F.
What is the InChIKey of [(1R)-2-(cyclopropylamino)-2-oxo-1-phenylethyl] 2-(3-fluoro-4-methoxyphenyl)acetate?
The InChIKey is XOQAXWZTAXOCCD-LJQANCHMSA-N. The full InChI is InChI=1S/C20H20FNO4/c1-25-17-10-7-13(11-16(17)21)12-18(23)26-19(14-5-3-2-4-6-14)20(24)22-15-8-9-15/h2-7,10-11,15,19H,8-9,12H2,1H3,(H,22,24)/t19-/m1/s1.
What are the key properties of [(1R)-2-(cyclopropylamino)-2-oxo-1-phenylethyl] 2-(3-fluoro-4-methoxyphenyl)acetate?
[(1R)-2-(cyclopropylamino)-2-oxo-1-phenylethyl] 2-(3-fluoro-4-methoxyphenyl)acetate has a molecular weight of 357.38 g/mol, XLogP of 2.94, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R)-2-(cyclopropylamino)-2-oxo-1-phenylethyl] 2-(3-fluoro-4-methoxyphenyl)acetate is sourced from PubChem (CID 8667519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).