[(1R)-2-(cyclopropylamino)-2-oxo-1-phenylethyl] (2S)-2-(4-fluorophenoxy)propanoate

C20H20FNO4 — CID 8637077

IUPAC[(1R)-2-(cyclopropylamino)-2-oxo-1-phenylethyl] (2S)-2-(4-fluorophenoxy)propanoate
SMILESC[C@H](Oc1ccc(F)cc1)C(=O)O[C@@H](C(=O)NC1CC1)c1ccccc1
InChIInChI=1S/C20H20FNO4/c1-13(25-17-11-7-15(21)8-12-17)20(24)26-18(14-5-3-2-4-6-14)19(23)22-16-9-10-16/h2-8,11-13,16,18H,9-10H2,1H3,(H,22,23)/t13-,18+/m0/s1
InChIKeyPUUOKRFVSAPURV-SCLBCKFNSA-N
MW357.38 g/mol
LogP3.16
Rot. Bonds7

About [(1R)-2-(cyclopropylamino)-2-oxo-1-phenylethyl] (2S)-2-(4-fluorophenoxy)propanoate

[(1R)-2-(cyclopropylamino)-2-oxo-1-phenylethyl] (2S)-2-(4-fluorophenoxy)propanoate (PubChem CID 8637077) 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] (2S)-2-(4-fluorophenoxy)propanoate.

Molecular Properties

Compound Name[(1R)-2-(cyclopropylamino)-2-oxo-1-phenylethyl] (2S)-2-(4-fluorophenoxy)propanoate
PubChem CID8637077
Molecular FormulaC20H20FNO4
Molecular Weight357.38 g/mol
Exact Mass357.14
IUPAC Name[(1R)-2-(cyclopropylamino)-2-oxo-1-phenylethyl] (2S)-2-(4-fluorophenoxy)propanoate
SMILESC[C@H](Oc1ccc(F)cc1)C(=O)O[C@@H](C(=O)NC1CC1)c1ccccc1
InChIInChI=1S/C20H20FNO4/c1-13(25-17-11-7-15(21)8-12-17)20(24)26-18(14-5-3-2-4-6-14)19(23)22-16-9-10-16/h2-8,11-13,16,18H,9-10H2,1H3,(H,22,23)/t13-,18+/m0/s1
InChIKeyPUUOKRFVSAPURV-SCLBCKFNSA-N
XLogP3.16
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 ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze [(1R)-2-(cyclopropylamino)-2-oxo-1-phenylethyl] (2S)-2-(4-fluorophenoxy)propanoate with MolForge

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Related Compounds

[(1R)-2-(cyclopropylamino)-2-oxo-1-phenylethyl] (2S)-2-(4-cyanophenoxy)propanoate
CID 8636320
[(2R)-1-(cycloheptylamino)-1-oxopropan-2-yl] (2S)-2-(4-fluorophenoxy)propanoate
CID 8935817
[(2S)-1-(cycloheptylamino)-1-oxopropan-2-yl] (2S)-2-(4-fluorophenoxy)propanoate
CID 8935810
[(1R)-2-(cyclopropylamino)-2-oxo-1-phenylethyl] (2R)-2-(2,4-dichlorophenoxy)propanoate
CID 8837824
[(1R)-2-(cyclopropylamino)-2-oxo-1-phenylethyl] (2S)-2-hydroxy-2-phenylacetate
CID 9414934
N-cyclooctyl-2-(4-fluorophenoxy)propanamide
CID 42909316
N-cyclopropyl-2-[[(2S)-2-(4-fluorophenoxy)propanoyl]amino]benzamide
CID 26905849
[2-(cyclopropylamino)-1-(4-fluorophenyl)-2-oxoethyl] (2S)-2-[(2-fluorobenzoyl)amino]-3-methylbutanoate
CID 16591547
N-cyclopropyl-2-(4-phenoxyphenoxy)propanamide
CID 4793506
[(2R)-1-(cyclopropylamino)-1-oxopropan-2-yl] (2R)-2-(4-bromophenoxy)propanoate
CID 7754794
[2-(cyclopropylamino)-1-(4-fluorophenyl)-2-oxoethyl] (2S)-3-methyl-2-[(2-methylbenzoyl)amino]butanoate
CID 16600141
(2S)-N-cyclopropyl-2-methoxy-2-phenylacetamide
CID 958449

Frequently Asked Questions

What is the IUPAC name of [(1R)-2-(cyclopropylamino)-2-oxo-1-phenylethyl] (2S)-2-(4-fluorophenoxy)propanoate?
The IUPAC name of [(1R)-2-(cyclopropylamino)-2-oxo-1-phenylethyl] (2S)-2-(4-fluorophenoxy)propanoate (CID 8637077) is [(1R)-2-(cyclopropylamino)-2-oxo-1-phenylethyl] (2S)-2-(4-fluorophenoxy)propanoate.
What is the SMILES notation for [(1R)-2-(cyclopropylamino)-2-oxo-1-phenylethyl] (2S)-2-(4-fluorophenoxy)propanoate?
The canonical SMILES for [(1R)-2-(cyclopropylamino)-2-oxo-1-phenylethyl] (2S)-2-(4-fluorophenoxy)propanoate is C[C@H](Oc1ccc(F)cc1)C(=O)O[C@@H](C(=O)NC1CC1)c1ccccc1.
What is the InChIKey of [(1R)-2-(cyclopropylamino)-2-oxo-1-phenylethyl] (2S)-2-(4-fluorophenoxy)propanoate?
The InChIKey is PUUOKRFVSAPURV-SCLBCKFNSA-N. The full InChI is InChI=1S/C20H20FNO4/c1-13(25-17-11-7-15(21)8-12-17)20(24)26-18(14-5-3-2-4-6-14)19(23)22-16-9-10-16/h2-8,11-13,16,18H,9-10H2,1H3,(H,22,23)/t13-,18+/m0/s1.
What are the key properties of [(1R)-2-(cyclopropylamino)-2-oxo-1-phenylethyl] (2S)-2-(4-fluorophenoxy)propanoate?
[(1R)-2-(cyclopropylamino)-2-oxo-1-phenylethyl] (2S)-2-(4-fluorophenoxy)propanoate has a molecular weight of 357.38 g/mol, XLogP of 3.16, 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] (2S)-2-(4-fluorophenoxy)propanoate is sourced from PubChem (CID 8637077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).