methyl 4-hydroxy-1-(1-oxo-1-phenylpropan-2-yl)pyrrolidine-2-carboxylate

C15H19NO4 — CID 141060724

IUPACmethyl 4-hydroxy-1-(1-oxo-1-phenylpropan-2-yl)pyrrolidine-2-carboxylate
SMILESCOC(=O)C1CC(O)CN1C(C)C(=O)c1ccccc1
InChIInChI=1S/C15H19NO4/c1-10(14(18)11-6-4-3-5-7-11)16-9-12(17)8-13(16)15(19)20-2/h3-7,10,12-13,17H,8-9H2,1-2H3
InChIKeyZCWNRDISISXYEH-UHFFFAOYSA-N
MW277.32 g/mol
LogP0.87
Rot. Bonds4

About methyl 4-hydroxy-1-(1-oxo-1-phenylpropan-2-yl)pyrrolidine-2-carboxylate

methyl 4-hydroxy-1-(1-oxo-1-phenylpropan-2-yl)pyrrolidine-2-carboxylate (PubChem CID 141060724) has the molecular formula C15H19NO4 and a molecular weight of 277.32 g/mol. Its IUPAC name is methyl 4-hydroxy-1-(1-oxo-1-phenylpropan-2-yl)pyrrolidine-2-carboxylate.

Molecular Properties

Compound Namemethyl 4-hydroxy-1-(1-oxo-1-phenylpropan-2-yl)pyrrolidine-2-carboxylate
PubChem CID141060724
Molecular FormulaC15H19NO4
Molecular Weight277.32 g/mol
Exact Mass277.13
IUPAC Namemethyl 4-hydroxy-1-(1-oxo-1-phenylpropan-2-yl)pyrrolidine-2-carboxylate
SMILESCOC(=O)C1CC(O)CN1C(C)C(=O)c1ccccc1
InChIInChI=1S/C15H19NO4/c1-10(14(18)11-6-4-3-5-7-11)16-9-12(17)8-13(16)15(19)20-2/h3-7,10,12-13,17H,8-9H2,1-2H3
InChIKeyZCWNRDISISXYEH-UHFFFAOYSA-N
XLogP0.87
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.32
LogP ≤ 50.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 4-hydroxy-1-(1-phenylethyl)pyrrolidine-2-carboxylate
CID 85397681
methyl (2S,4R)-1-[(S)-cyano(phenyl)methyl]-4-hydroxypyrrolidine-2-carboxylate
CID 71613981
methyl 4-hydroxy-1-phenylpyrrolidine-2-carboxylate
CID 141103843
methyl 1-(2-cyano-1-phenylethyl)-4-hydroxypyrrolidine-2-carboxylate
CID 115971462
methyl 4-hydroxy-1-(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)pyrrolidine-2-carboxylate
CID 112633018
ethane;methyl 1-(2,2-diphenylacetyl)-4-hydroxypyrrolidine-2-carboxylate
CID 145121615
methyl 4-hydroxy-1-(2-methoxy-2-phenylacetyl)pyrrolidine-2-carboxylate
CID 115971364
methyl 4-hydroxy-1-(3-phenylpropanoyl)pyrrolidine-2-carboxylate
CID 115970990
methyl (2S)-4-hydroxy-1-tritylpyrrolidine-2-carboxylate
CID 150507441
dimethyl (2R,4S)-1-(1-phenylethyl)azetidine-2,4-dicarboxylate
CID 54060167
methyl 4-hydroxy-1-(2-phenylethylsulfonyl)pyrrolidine-2-carboxylate
CID 115971421
2-(4-hydroxy-2-methoxycarbonylpyrrolidin-1-yl)pentanoic acid
CID 112632682

Frequently Asked Questions

What is the IUPAC name of methyl 4-hydroxy-1-(1-oxo-1-phenylpropan-2-yl)pyrrolidine-2-carboxylate?
The IUPAC name of methyl 4-hydroxy-1-(1-oxo-1-phenylpropan-2-yl)pyrrolidine-2-carboxylate (CID 141060724) is methyl 4-hydroxy-1-(1-oxo-1-phenylpropan-2-yl)pyrrolidine-2-carboxylate.
What is the SMILES notation for methyl 4-hydroxy-1-(1-oxo-1-phenylpropan-2-yl)pyrrolidine-2-carboxylate?
The canonical SMILES for methyl 4-hydroxy-1-(1-oxo-1-phenylpropan-2-yl)pyrrolidine-2-carboxylate is COC(=O)C1CC(O)CN1C(C)C(=O)c1ccccc1.
What is the InChIKey of methyl 4-hydroxy-1-(1-oxo-1-phenylpropan-2-yl)pyrrolidine-2-carboxylate?
The InChIKey is ZCWNRDISISXYEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NO4/c1-10(14(18)11-6-4-3-5-7-11)16-9-12(17)8-13(16)15(19)20-2/h3-7,10,12-13,17H,8-9H2,1-2H3.
What are the key properties of methyl 4-hydroxy-1-(1-oxo-1-phenylpropan-2-yl)pyrrolidine-2-carboxylate?
methyl 4-hydroxy-1-(1-oxo-1-phenylpropan-2-yl)pyrrolidine-2-carboxylate has a molecular weight of 277.32 g/mol, XLogP of 0.87, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-hydroxy-1-(1-oxo-1-phenylpropan-2-yl)pyrrolidine-2-carboxylate is sourced from PubChem (CID 141060724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).