methyl 3-hydroxy-1-(2-methoxy-2-oxoethyl)-5-oxo-3-phenylpyrrolidine-2-carboxylate

C15H17NO6 — CID 570909

IUPACmethyl 3-hydroxy-1-(2-methoxy-2-oxoethyl)-5-oxo-3-phenylpyrrolidine-2-carboxylate
SMILESCOC(=O)CN1C(=O)CC(O)(c2ccccc2)C1C(=O)OC
InChIInChI=1S/C15H17NO6/c1-21-12(18)9-16-11(17)8-15(20,13(16)14(19)22-2)10-6-4-3-5-7-10/h3-7,13,20H,8-9H2,1-2H3
InChIKeyGUWGDDFVVHAJLV-UHFFFAOYSA-N
MW307.30 g/mol
LogP-0.18
Rot. Bonds4

About methyl 3-hydroxy-1-(2-methoxy-2-oxoethyl)-5-oxo-3-phenylpyrrolidine-2-carboxylate

methyl 3-hydroxy-1-(2-methoxy-2-oxoethyl)-5-oxo-3-phenylpyrrolidine-2-carboxylate (PubChem CID 570909) has the molecular formula C15H17NO6 and a molecular weight of 307.30 g/mol. Its IUPAC name is methyl 3-hydroxy-1-(2-methoxy-2-oxoethyl)-5-oxo-3-phenylpyrrolidine-2-carboxylate.

Molecular Properties

Compound Namemethyl 3-hydroxy-1-(2-methoxy-2-oxoethyl)-5-oxo-3-phenylpyrrolidine-2-carboxylate
PubChem CID570909
Molecular FormulaC15H17NO6
Molecular Weight307.30 g/mol
Exact Mass307.11
IUPAC Namemethyl 3-hydroxy-1-(2-methoxy-2-oxoethyl)-5-oxo-3-phenylpyrrolidine-2-carboxylate
SMILESCOC(=O)CN1C(=O)CC(O)(c2ccccc2)C1C(=O)OC
InChIInChI=1S/C15H17NO6/c1-21-12(18)9-16-11(17)8-15(20,13(16)14(19)22-2)10-6-4-3-5-7-10/h3-7,13,20H,8-9H2,1-2H3
InChIKeyGUWGDDFVVHAJLV-UHFFFAOYSA-N
XLogP-0.18
TPSA93.14 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.30
LogP ≤ 5-0.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze methyl 3-hydroxy-1-(2-methoxy-2-oxoethyl)-5-oxo-3-phenylpyrrolidine-2-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of methyl 3-hydroxy-1-(2-methoxy-2-oxoethyl)-5-oxo-3-phenylpyrrolidine-2-carboxylate?
The IUPAC name of methyl 3-hydroxy-1-(2-methoxy-2-oxoethyl)-5-oxo-3-phenylpyrrolidine-2-carboxylate (CID 570909) is methyl 3-hydroxy-1-(2-methoxy-2-oxoethyl)-5-oxo-3-phenylpyrrolidine-2-carboxylate.
What is the SMILES notation for methyl 3-hydroxy-1-(2-methoxy-2-oxoethyl)-5-oxo-3-phenylpyrrolidine-2-carboxylate?
The canonical SMILES for methyl 3-hydroxy-1-(2-methoxy-2-oxoethyl)-5-oxo-3-phenylpyrrolidine-2-carboxylate is COC(=O)CN1C(=O)CC(O)(c2ccccc2)C1C(=O)OC.
What is the InChIKey of methyl 3-hydroxy-1-(2-methoxy-2-oxoethyl)-5-oxo-3-phenylpyrrolidine-2-carboxylate?
The InChIKey is GUWGDDFVVHAJLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17NO6/c1-21-12(18)9-16-11(17)8-15(20,13(16)14(19)22-2)10-6-4-3-5-7-10/h3-7,13,20H,8-9H2,1-2H3.
What are the key properties of methyl 3-hydroxy-1-(2-methoxy-2-oxoethyl)-5-oxo-3-phenylpyrrolidine-2-carboxylate?
methyl 3-hydroxy-1-(2-methoxy-2-oxoethyl)-5-oxo-3-phenylpyrrolidine-2-carboxylate has a molecular weight of 307.30 g/mol, XLogP of -0.18, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-hydroxy-1-(2-methoxy-2-oxoethyl)-5-oxo-3-phenylpyrrolidine-2-carboxylate is sourced from PubChem (CID 570909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).