[(1R)-2-(cyclopropylamino)-2-oxo-1-phenylethyl] (1R)-cyclohex-3-ene-1-carboxylate

C18H21NO3 — CID 8639703

IUPAC[(1R)-2-(cyclopropylamino)-2-oxo-1-phenylethyl] (1R)-cyclohex-3-ene-1-carboxylate
SMILESO=C(O[C@@H](C(=O)NC1CC1)c1ccccc1)[C@H]1CC=CCC1
InChIInChI=1S/C18H21NO3/c20-17(19-15-11-12-15)16(13-7-3-1-4-8-13)22-18(21)14-9-5-2-6-10-14/h1-5,7-8,14-16H,6,9-12H2,(H,19,20)/t14-,16+/m0/s1
InChIKeyCUGKXPRBWVPYMC-GOEBONIOSA-N
MW299.37 g/mol
LogP2.91
Rot. Bonds5

About [(1R)-2-(cyclopropylamino)-2-oxo-1-phenylethyl] (1R)-cyclohex-3-ene-1-carboxylate

[(1R)-2-(cyclopropylamino)-2-oxo-1-phenylethyl] (1R)-cyclohex-3-ene-1-carboxylate (PubChem CID 8639703) has the molecular formula C18H21NO3 and a molecular weight of 299.37 g/mol. Its IUPAC name is [(1R)-2-(cyclopropylamino)-2-oxo-1-phenylethyl] (1R)-cyclohex-3-ene-1-carboxylate.

Molecular Properties

Compound Name[(1R)-2-(cyclopropylamino)-2-oxo-1-phenylethyl] (1R)-cyclohex-3-ene-1-carboxylate
PubChem CID8639703
Molecular FormulaC18H21NO3
Molecular Weight299.37 g/mol
Exact Mass299.15
IUPAC Name[(1R)-2-(cyclopropylamino)-2-oxo-1-phenylethyl] (1R)-cyclohex-3-ene-1-carboxylate
SMILESO=C(O[C@@H](C(=O)NC1CC1)c1ccccc1)[C@H]1CC=CCC1
InChIInChI=1S/C18H21NO3/c20-17(19-15-11-12-15)16(13-7-3-1-4-8-13)22-18(21)14-9-5-2-6-10-14/h1-5,7-8,14-16H,6,9-12H2,(H,19,20)/t14-,16+/m0/s1
InChIKeyCUGKXPRBWVPYMC-GOEBONIOSA-N
XLogP2.91
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.37
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

[(1S)-2-(ethylcarbamoylamino)-2-oxo-1-phenylethyl] (1S)-cyclohex-3-ene-1-carboxylate
CID 7949091
[(1R)-2-(3-methoxyanilino)-2-oxo-1-phenylethyl] (1S)-cyclohex-3-ene-1-carboxylate
CID 7932058
(2S)-N-cyclopropyl-2-methoxy-2-phenylacetamide
CID 958449
[(1R)-2-(cyclopropylamino)-2-oxo-1-phenylethyl] (2S)-2-hydroxy-2-phenylacetate
CID 9414934
(2R)-N-cyclohexyl-2-methoxy-2-phenylacetamide
CID 101462807
[(1S)-2-(cyclopropylamino)-2-oxo-1-phenylethyl] (3R)-5-oxo-1-[(1R)-1-phenylethyl]pyrrolidine-3-carboxylate
CID 8602818
[2-(cyclopropylamino)-1-(4-fluorophenyl)-2-oxoethyl] cyclobutanecarboxylate
CID 16588764
[(1R)-2-(cyclopropylamino)-2-oxo-1-phenylethyl] (3S)-5-oxo-1-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxylate
CID 97014679
[2-(cyclopropylamino)-2-oxo-1-phenylethyl] 4-ethylbenzoate
CID 18198888
[(1S)-2-(cyclopropylamino)-2-oxo-1-phenylethyl] 2-methoxybenzoate
CID 9414572
[2-(cyclopropylamino)-2-oxo-1-phenylethyl] 3-(1,3-dioxoisoindol-2-yl)propanoate
CID 45354130
[(1S)-2-(cyclopropylamino)-2-oxo-1-phenylethyl] 1-(2,5-difluorophenyl)sulfonylpiperidine-4-carboxylate
CID 27799156

Frequently Asked Questions

What is the IUPAC name of [(1R)-2-(cyclopropylamino)-2-oxo-1-phenylethyl] (1R)-cyclohex-3-ene-1-carboxylate?
The IUPAC name of [(1R)-2-(cyclopropylamino)-2-oxo-1-phenylethyl] (1R)-cyclohex-3-ene-1-carboxylate (CID 8639703) is [(1R)-2-(cyclopropylamino)-2-oxo-1-phenylethyl] (1R)-cyclohex-3-ene-1-carboxylate.
What is the SMILES notation for [(1R)-2-(cyclopropylamino)-2-oxo-1-phenylethyl] (1R)-cyclohex-3-ene-1-carboxylate?
The canonical SMILES for [(1R)-2-(cyclopropylamino)-2-oxo-1-phenylethyl] (1R)-cyclohex-3-ene-1-carboxylate is O=C(O[C@@H](C(=O)NC1CC1)c1ccccc1)[C@H]1CC=CCC1.
What is the InChIKey of [(1R)-2-(cyclopropylamino)-2-oxo-1-phenylethyl] (1R)-cyclohex-3-ene-1-carboxylate?
The InChIKey is CUGKXPRBWVPYMC-GOEBONIOSA-N. The full InChI is InChI=1S/C18H21NO3/c20-17(19-15-11-12-15)16(13-7-3-1-4-8-13)22-18(21)14-9-5-2-6-10-14/h1-5,7-8,14-16H,6,9-12H2,(H,19,20)/t14-,16+/m0/s1.
What are the key properties of [(1R)-2-(cyclopropylamino)-2-oxo-1-phenylethyl] (1R)-cyclohex-3-ene-1-carboxylate?
[(1R)-2-(cyclopropylamino)-2-oxo-1-phenylethyl] (1R)-cyclohex-3-ene-1-carboxylate has a molecular weight of 299.37 g/mol, XLogP of 2.91, 5 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] (1R)-cyclohex-3-ene-1-carboxylate is sourced from PubChem (CID 8639703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).