methyl 4-hydroxy-1-(2-methoxy-2-phenylacetyl)pyrrolidine-2-carboxylate

C15H19NO5 — CID 115971364

IUPACmethyl 4-hydroxy-1-(2-methoxy-2-phenylacetyl)pyrrolidine-2-carboxylate
SMILESCOC(=O)C1CC(O)CN1C(=O)C(OC)c1ccccc1
InChIInChI=1S/C15H19NO5/c1-20-13(10-6-4-3-5-7-10)14(18)16-9-11(17)8-12(16)15(19)21-2/h3-7,11-13,17H,8-9H2,1-2H3
InChIKeyQDGYJEJNWGSCDC-UHFFFAOYSA-N
MW293.32 g/mol
LogP0.51
Rot. Bonds4

About methyl 4-hydroxy-1-(2-methoxy-2-phenylacetyl)pyrrolidine-2-carboxylate

methyl 4-hydroxy-1-(2-methoxy-2-phenylacetyl)pyrrolidine-2-carboxylate (PubChem CID 115971364) has the molecular formula C15H19NO5 and a molecular weight of 293.32 g/mol. Its IUPAC name is methyl 4-hydroxy-1-(2-methoxy-2-phenylacetyl)pyrrolidine-2-carboxylate.

Molecular Properties

Compound Namemethyl 4-hydroxy-1-(2-methoxy-2-phenylacetyl)pyrrolidine-2-carboxylate
PubChem CID115971364
Molecular FormulaC15H19NO5
Molecular Weight293.32 g/mol
Exact Mass293.13
IUPAC Namemethyl 4-hydroxy-1-(2-methoxy-2-phenylacetyl)pyrrolidine-2-carboxylate
SMILESCOC(=O)C1CC(O)CN1C(=O)C(OC)c1ccccc1
InChIInChI=1S/C15H19NO5/c1-20-13(10-6-4-3-5-7-10)14(18)16-9-11(17)8-12(16)15(19)21-2/h3-7,11-13,17H,8-9H2,1-2H3
InChIKeyQDGYJEJNWGSCDC-UHFFFAOYSA-N
XLogP0.51
TPSA76.07 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.32
LogP ≤ 50.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

ethane;methyl 1-(2,2-diphenylacetyl)-4-hydroxypyrrolidine-2-carboxylate
CID 145121615
methyl 4-hydroxy-1-(1-phenylethyl)pyrrolidine-2-carboxylate
CID 85397681
methyl 4-hydroxy-1-(2-methylpropanoyl)pyrrolidine-2-carboxylate
CID 112632548
methyl 4-hydroxy-1-(3-phenylpropanoyl)pyrrolidine-2-carboxylate
CID 115970990
methyl (2S,4R)-1-[(S)-cyano(phenyl)methyl]-4-hydroxypyrrolidine-2-carboxylate
CID 71613981
(2S,4R)-4-hydroxy-N-[4-[2-[4-[[(2S,4R)-4-hydroxy-1-(2-methoxy-2-phenylacetyl)pyrrolidine-2-carbonyl]amino]phenyl]-1,3-oxazol-5-yl]phenyl]-1-(2-methoxy-2-phenylacetyl)pyrrolidine-2-carboxamide
CID 67313829
methyl (2S,4R)-4-hydroxy-1-[(2S)-3-methyl-2-(phenylmethoxycarbonylamino)butanoyl]pyrrolidine-2-carboxylate
CID 126679490
cis-methyl (1S,3R)-3-[(1R,4S)-5-[(2S)-2-methoxy-2-phenylacetyl]-2,5-diazabicyclo[2.2.1]heptane-2-carbonyl]cyclopentane-1-carboxylate
CID 171679880
methyl 4-hydroxy-1-(2-methylsulfonylpropanoyl)pyrrolidine-2-carboxylate
CID 113422292
methyl 4-hydroxy-1-phenylpyrrolidine-2-carboxylate
CID 141103843
methyl (2S,4R)-4-hydroxy-1-[(2R)-4-phenyl-2-(phenylmethoxycarbonylamino)butanoyl]pyrrolidine-2-carboxylate
CID 58473947
1-[(3R)-3-hydroxypyrrolidin-1-yl]-2-methoxy-2-phenylethanone
CID 66291678

Frequently Asked Questions

What is the IUPAC name of methyl 4-hydroxy-1-(2-methoxy-2-phenylacetyl)pyrrolidine-2-carboxylate?
The IUPAC name of methyl 4-hydroxy-1-(2-methoxy-2-phenylacetyl)pyrrolidine-2-carboxylate (CID 115971364) is methyl 4-hydroxy-1-(2-methoxy-2-phenylacetyl)pyrrolidine-2-carboxylate.
What is the SMILES notation for methyl 4-hydroxy-1-(2-methoxy-2-phenylacetyl)pyrrolidine-2-carboxylate?
The canonical SMILES for methyl 4-hydroxy-1-(2-methoxy-2-phenylacetyl)pyrrolidine-2-carboxylate is COC(=O)C1CC(O)CN1C(=O)C(OC)c1ccccc1.
What is the InChIKey of methyl 4-hydroxy-1-(2-methoxy-2-phenylacetyl)pyrrolidine-2-carboxylate?
The InChIKey is QDGYJEJNWGSCDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NO5/c1-20-13(10-6-4-3-5-7-10)14(18)16-9-11(17)8-12(16)15(19)21-2/h3-7,11-13,17H,8-9H2,1-2H3.
What are the key properties of methyl 4-hydroxy-1-(2-methoxy-2-phenylacetyl)pyrrolidine-2-carboxylate?
methyl 4-hydroxy-1-(2-methoxy-2-phenylacetyl)pyrrolidine-2-carboxylate has a molecular weight of 293.32 g/mol, XLogP of 0.51, 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-(2-methoxy-2-phenylacetyl)pyrrolidine-2-carboxylate is sourced from PubChem (CID 115971364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).