methyl (2R)-5-oxo-2-[(E)-3-oxo-3-phenylmethoxyprop-1-enyl]pyrrolidine-2-carboxylate

C16H17NO5 — CID 135013952

IUPACmethyl (2R)-5-oxo-2-[(E)-3-oxo-3-phenylmethoxyprop-1-enyl]pyrrolidine-2-carboxylate
SMILESCOC(=O)[C@]1(/C=C/C(=O)OCc2ccccc2)CCC(=O)N1
InChIInChI=1S/C16H17NO5/c1-21-15(20)16(9-7-13(18)17-16)10-8-14(19)22-11-12-5-3-2-4-6-12/h2-6,8,10H,7,9,11H2,1H3,(H,17,18)/b10-8+/t16-/m1/s1
InChIKeyZXWJFHFHESBLRW-XAVKZTDYSA-N
MW303.31 g/mol
LogP1.11
Rot. Bonds5

About methyl (2R)-5-oxo-2-[(E)-3-oxo-3-phenylmethoxyprop-1-enyl]pyrrolidine-2-carboxylate

methyl (2R)-5-oxo-2-[(E)-3-oxo-3-phenylmethoxyprop-1-enyl]pyrrolidine-2-carboxylate (PubChem CID 135013952) has the molecular formula C16H17NO5 and a molecular weight of 303.31 g/mol. Its IUPAC name is methyl (2R)-5-oxo-2-[(E)-3-oxo-3-phenylmethoxyprop-1-enyl]pyrrolidine-2-carboxylate.

Molecular Properties

Compound Namemethyl (2R)-5-oxo-2-[(E)-3-oxo-3-phenylmethoxyprop-1-enyl]pyrrolidine-2-carboxylate
PubChem CID135013952
Molecular FormulaC16H17NO5
Molecular Weight303.31 g/mol
Exact Mass303.11
IUPAC Namemethyl (2R)-5-oxo-2-[(E)-3-oxo-3-phenylmethoxyprop-1-enyl]pyrrolidine-2-carboxylate
SMILESCOC(=O)[C@]1(/C=C/C(=O)OCc2ccccc2)CCC(=O)N1
InChIInChI=1S/C16H17NO5/c1-21-15(20)16(9-7-13(18)17-16)10-8-14(19)22-11-12-5-3-2-4-6-12/h2-6,8,10H,7,9,11H2,1H3,(H,17,18)/b10-8+/t16-/m1/s1
InChIKeyZXWJFHFHESBLRW-XAVKZTDYSA-N
XLogP1.11
TPSA81.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.31
LogP ≤ 51.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze methyl (2R)-5-oxo-2-[(E)-3-oxo-3-phenylmethoxyprop-1-enyl]pyrrolidine-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

Related Compounds

Benzyl 5-oxopyrrolidine-2-carboxylate
CID 108474
Benzyl 5-oxoprolinate
CID 2381219
Benzyl 1-acetyl-2-ethylpyrrolidine-2-carboxylate
CID 46884562
benzyl (2R,3R)-4-methylidene-2-(2-methylpropyl)-5-oxo-3-phenylpyrrolidine-2-carboxylate
CID 139181756
benzyl (2S)-4,4-difluoro-5-oxopyrrolidine-2-carboxylate
CID 144703222
1-Aminocyclopentanecarboxylic acid, N-(benzyloxycarbonyl)-, butyl ester
CID 91699746
1-Aminocyclopentanecarboxylic acid, N-(benzyloxycarbonyl)-, pentyl ester
CID 91699747
1-Aminocyclopentanecarboxylic acid, N-(benzyloxycarbonyl)-, heptyl ester
CID 91699748
1-Aminocyclopentanecarboxylic acid, N-(benzyloxycarbonyl)-, isohexyl ester
CID 91699750
2-O-benzyl 1-O-methyl (2S)-5-oxopyrrolidine-1,2-dicarboxylate
CID 10978752
methyl (2R,3S)-3-benzoyloxy-2-[(2-methylpropan-2-yl)oxycarbonyloxymethyl]-5-oxopyrrolidine-2-carboxylate
CID 11025627
ethyl (2R)-5-oxo-5-(pentylamino)-2-(phenylmethoxycarbonylamino)pentanoate
CID 11079384

Frequently Asked Questions

What is the IUPAC name of methyl (2R)-5-oxo-2-[(E)-3-oxo-3-phenylmethoxyprop-1-enyl]pyrrolidine-2-carboxylate?
The IUPAC name of methyl (2R)-5-oxo-2-[(E)-3-oxo-3-phenylmethoxyprop-1-enyl]pyrrolidine-2-carboxylate (CID 135013952) is methyl (2R)-5-oxo-2-[(E)-3-oxo-3-phenylmethoxyprop-1-enyl]pyrrolidine-2-carboxylate.
What is the SMILES notation for methyl (2R)-5-oxo-2-[(E)-3-oxo-3-phenylmethoxyprop-1-enyl]pyrrolidine-2-carboxylate?
The canonical SMILES for methyl (2R)-5-oxo-2-[(E)-3-oxo-3-phenylmethoxyprop-1-enyl]pyrrolidine-2-carboxylate is COC(=O)[C@]1(/C=C/C(=O)OCc2ccccc2)CCC(=O)N1.
What is the InChIKey of methyl (2R)-5-oxo-2-[(E)-3-oxo-3-phenylmethoxyprop-1-enyl]pyrrolidine-2-carboxylate?
The InChIKey is ZXWJFHFHESBLRW-XAVKZTDYSA-N. The full InChI is InChI=1S/C16H17NO5/c1-21-15(20)16(9-7-13(18)17-16)10-8-14(19)22-11-12-5-3-2-4-6-12/h2-6,8,10H,7,9,11H2,1H3,(H,17,18)/b10-8+/t16-/m1/s1.
What are the key properties of methyl (2R)-5-oxo-2-[(E)-3-oxo-3-phenylmethoxyprop-1-enyl]pyrrolidine-2-carboxylate?
methyl (2R)-5-oxo-2-[(E)-3-oxo-3-phenylmethoxyprop-1-enyl]pyrrolidine-2-carboxylate has a molecular weight of 303.31 g/mol, XLogP of 1.11, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2R)-5-oxo-2-[(E)-3-oxo-3-phenylmethoxyprop-1-enyl]pyrrolidine-2-carboxylate is sourced from PubChem (CID 135013952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).