methyl 4-hydroxy-1-(1-phenylethyl)pyrrolidine-2-carboxylate

C14H19NO3 — CID 85397681

IUPACmethyl 4-hydroxy-1-(1-phenylethyl)pyrrolidine-2-carboxylate
SMILESCOC(=O)C1CC(O)CN1C(C)c1ccccc1
InChIInChI=1S/C14H19NO3/c1-10(11-6-4-3-5-7-11)15-9-12(16)8-13(15)14(17)18-2/h3-7,10,12-13,16H,8-9H2,1-2H3
InChIKeyJJILFWLIIMEPDD-UHFFFAOYSA-N
MW249.31 g/mol
LogP1.36
Rot. Bonds3

About methyl 4-hydroxy-1-(1-phenylethyl)pyrrolidine-2-carboxylate

methyl 4-hydroxy-1-(1-phenylethyl)pyrrolidine-2-carboxylate (PubChem CID 85397681) has the molecular formula C14H19NO3 and a molecular weight of 249.31 g/mol. Its IUPAC name is methyl 4-hydroxy-1-(1-phenylethyl)pyrrolidine-2-carboxylate.

Molecular Properties

Compound Namemethyl 4-hydroxy-1-(1-phenylethyl)pyrrolidine-2-carboxylate
PubChem CID85397681
Molecular FormulaC14H19NO3
Molecular Weight249.31 g/mol
Exact Mass249.14
IUPAC Namemethyl 4-hydroxy-1-(1-phenylethyl)pyrrolidine-2-carboxylate
SMILESCOC(=O)C1CC(O)CN1C(C)c1ccccc1
InChIInChI=1S/C14H19NO3/c1-10(11-6-4-3-5-7-11)15-9-12(16)8-13(15)14(17)18-2/h3-7,10,12-13,16H,8-9H2,1-2H3
InChIKeyJJILFWLIIMEPDD-UHFFFAOYSA-N
XLogP1.36
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.31
LogP ≤ 51.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 4-hydroxy-1-(1-oxo-1-phenylpropan-2-yl)pyrrolidine-2-carboxylate
CID 141060724
methyl (2S,4R)-1-[(S)-cyano(phenyl)methyl]-4-hydroxypyrrolidine-2-carboxylate
CID 71613981
methyl (2S,4S)-4-(2-methoxypropanoyloxy)-1-[(1S)-1-phenylethyl]pyrrolidine-2-carboxylate
CID 10860635
dimethyl (2R,4S)-1-(1-phenylethyl)azetidine-2,4-dicarboxylate
CID 54060167
methyl 1-(2-cyano-1-phenylethyl)-4-hydroxypyrrolidine-2-carboxylate
CID 115971462
methyl 1-[(1R)-1-phenylethyl]azetidine-2-carboxylate
CID 21308203
methyl 5-hydroxy-1-(1-phenylethyl)pyrrolidine-3-carboxylate
CID 123693997
methyl (2S)-1-[(1S)-1-phenylethyl]pyrrolidine-2-carboxylate
CID 11234448
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
[(1R)-1-phenylethyl] (2R)-1-[(1R)-1-phenylethyl]aziridine-2-carboxylate
CID 134939139
methyl 4-hydroxy-1-phenylpyrrolidine-2-carboxylate
CID 141103843

Frequently Asked Questions

What is the IUPAC name of methyl 4-hydroxy-1-(1-phenylethyl)pyrrolidine-2-carboxylate?
The IUPAC name of methyl 4-hydroxy-1-(1-phenylethyl)pyrrolidine-2-carboxylate (CID 85397681) is methyl 4-hydroxy-1-(1-phenylethyl)pyrrolidine-2-carboxylate.
What is the SMILES notation for methyl 4-hydroxy-1-(1-phenylethyl)pyrrolidine-2-carboxylate?
The canonical SMILES for methyl 4-hydroxy-1-(1-phenylethyl)pyrrolidine-2-carboxylate is COC(=O)C1CC(O)CN1C(C)c1ccccc1.
What is the InChIKey of methyl 4-hydroxy-1-(1-phenylethyl)pyrrolidine-2-carboxylate?
The InChIKey is JJILFWLIIMEPDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO3/c1-10(11-6-4-3-5-7-11)15-9-12(16)8-13(15)14(17)18-2/h3-7,10,12-13,16H,8-9H2,1-2H3.
What are the key properties of methyl 4-hydroxy-1-(1-phenylethyl)pyrrolidine-2-carboxylate?
methyl 4-hydroxy-1-(1-phenylethyl)pyrrolidine-2-carboxylate has a molecular weight of 249.31 g/mol, XLogP of 1.36, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-hydroxy-1-(1-phenylethyl)pyrrolidine-2-carboxylate is sourced from PubChem (CID 85397681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).