[(1R)-2-(cyclopropylamino)-2-oxo-1-phenylethyl] 3-(2-fluorophenyl)propanoate

C20H20FNO3 — CID 8514509

IUPAC[(1R)-2-(cyclopropylamino)-2-oxo-1-phenylethyl] 3-(2-fluorophenyl)propanoate
SMILESO=C(CCc1ccccc1F)O[C@@H](C(=O)NC1CC1)c1ccccc1
InChIInChI=1S/C20H20FNO3/c21-17-9-5-4-6-14(17)10-13-18(23)25-19(15-7-2-1-3-8-15)20(24)22-16-11-12-16/h1-9,16,19H,10-13H2,(H,22,24)/t19-/m1/s1
InChIKeyWISGFVUPSTUMFQ-LJQANCHMSA-N
MW341.38 g/mol
LogP3.32
Rot. Bonds7

About [(1R)-2-(cyclopropylamino)-2-oxo-1-phenylethyl] 3-(2-fluorophenyl)propanoate

[(1R)-2-(cyclopropylamino)-2-oxo-1-phenylethyl] 3-(2-fluorophenyl)propanoate (PubChem CID 8514509) has the molecular formula C20H20FNO3 and a molecular weight of 341.38 g/mol. Its IUPAC name is [(1R)-2-(cyclopropylamino)-2-oxo-1-phenylethyl] 3-(2-fluorophenyl)propanoate.

Molecular Properties

Compound Name[(1R)-2-(cyclopropylamino)-2-oxo-1-phenylethyl] 3-(2-fluorophenyl)propanoate
PubChem CID8514509
Molecular FormulaC20H20FNO3
Molecular Weight341.38 g/mol
Exact Mass341.14
IUPAC Name[(1R)-2-(cyclopropylamino)-2-oxo-1-phenylethyl] 3-(2-fluorophenyl)propanoate
SMILESO=C(CCc1ccccc1F)O[C@@H](C(=O)NC1CC1)c1ccccc1
InChIInChI=1S/C20H20FNO3/c21-17-9-5-4-6-14(17)10-13-18(23)25-19(15-7-2-1-3-8-15)20(24)22-16-11-12-16/h1-9,16,19H,10-13H2,(H,22,24)/t19-/m1/s1
InChIKeyWISGFVUPSTUMFQ-LJQANCHMSA-N
XLogP3.32
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.38
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[2-(cyclopropylamino)-1-(4-fluorophenyl)-2-oxoethyl] 3-(2-methoxyphenyl)propanoate
CID 16589178
[2-(cyclopropylamino)-2-oxo-1-phenylethyl] 3-[5-(2,6-difluorophenyl)-1,3-oxazol-2-yl]propanoate
CID 46687967
[(2S)-1-(cycloheptylamino)-1-oxopropan-2-yl] 3-(2-fluorophenyl)propanoate
CID 9384132
[(1S)-2-(cyclopropylamino)-2-oxo-1-phenylethyl] 3-quinolin-2-ylpropanoate
CID 27765908
[(1R)-2-(cyclopropylamino)-2-oxo-1-phenylethyl] 2-(3-fluoro-4-methoxyphenyl)acetate
CID 8667519
[(1R)-2-(cyclopropylamino)-2-oxo-1-phenylethyl] 2-[2-(2-fluoroanilino)-2-oxoethyl]sulfanylacetate
CID 8601192
[2-(cyclopropylamino)-2-oxo-1-phenylethyl] 3-(1,3-dioxoisoindol-2-yl)propanoate
CID 45354130
[(1R)-2-(cyclopropylamino)-2-oxo-1-phenylethyl] (2S)-2-hydroxy-2-phenylacetate
CID 9414934
[2-(cyclopropylamino)-2-oxo-1-phenylethyl] 4-oxo-4-thiophen-2-ylbutanoate
CID 55390691
[(1R)-2-(cyclopropylamino)-2-oxo-1-phenylethyl] 3-(adamantane-1-carbonylamino)propanoate
CID 8601927
[(2S)-1-[[(3S)-1,1-dioxothiolan-3-yl]amino]-1-oxopropan-2-yl] 3-(2-fluorophenyl)propanoate
CID 9384099
[2-(cyclopropylamino)-2-oxo-1-phenylethyl] 3-benzamido-3-phenylpropanoate
CID 46825007

Frequently Asked Questions

What is the IUPAC name of [(1R)-2-(cyclopropylamino)-2-oxo-1-phenylethyl] 3-(2-fluorophenyl)propanoate?
The IUPAC name of [(1R)-2-(cyclopropylamino)-2-oxo-1-phenylethyl] 3-(2-fluorophenyl)propanoate (CID 8514509) is [(1R)-2-(cyclopropylamino)-2-oxo-1-phenylethyl] 3-(2-fluorophenyl)propanoate.
What is the SMILES notation for [(1R)-2-(cyclopropylamino)-2-oxo-1-phenylethyl] 3-(2-fluorophenyl)propanoate?
The canonical SMILES for [(1R)-2-(cyclopropylamino)-2-oxo-1-phenylethyl] 3-(2-fluorophenyl)propanoate is O=C(CCc1ccccc1F)O[C@@H](C(=O)NC1CC1)c1ccccc1.
What is the InChIKey of [(1R)-2-(cyclopropylamino)-2-oxo-1-phenylethyl] 3-(2-fluorophenyl)propanoate?
The InChIKey is WISGFVUPSTUMFQ-LJQANCHMSA-N. The full InChI is InChI=1S/C20H20FNO3/c21-17-9-5-4-6-14(17)10-13-18(23)25-19(15-7-2-1-3-8-15)20(24)22-16-11-12-16/h1-9,16,19H,10-13H2,(H,22,24)/t19-/m1/s1.
What are the key properties of [(1R)-2-(cyclopropylamino)-2-oxo-1-phenylethyl] 3-(2-fluorophenyl)propanoate?
[(1R)-2-(cyclopropylamino)-2-oxo-1-phenylethyl] 3-(2-fluorophenyl)propanoate has a molecular weight of 341.38 g/mol, XLogP of 3.32, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R)-2-(cyclopropylamino)-2-oxo-1-phenylethyl] 3-(2-fluorophenyl)propanoate is sourced from PubChem (CID 8514509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).