methyl (2R)-1-[4-(2-methylpropoxy)benzoyl]pyrrolidine-2-carboxylate

C17H23NO4 — CID 908839

IUPACmethyl (2R)-1-[4-(2-methylpropoxy)benzoyl]pyrrolidine-2-carboxylate
SMILESCOC(=O)[C@H]1CCCN1C(=O)c1ccc(OCC(C)C)cc1
InChIInChI=1S/C17H23NO4/c1-12(2)11-22-14-8-6-13(7-9-14)16(19)18-10-4-5-15(18)17(20)21-3/h6-9,12,15H,4-5,10-11H2,1-3H3/t15-/m1/s1
InChIKeyJOPLXLADHGSXTL-OAHLLOKOSA-N
MW305.37 g/mol
LogP2.50
Rot. Bonds5

About methyl (2R)-1-[4-(2-methylpropoxy)benzoyl]pyrrolidine-2-carboxylate

methyl (2R)-1-[4-(2-methylpropoxy)benzoyl]pyrrolidine-2-carboxylate (PubChem CID 908839) has the molecular formula C17H23NO4 and a molecular weight of 305.37 g/mol. Its IUPAC name is methyl (2R)-1-[4-(2-methylpropoxy)benzoyl]pyrrolidine-2-carboxylate.

Molecular Properties

Compound Namemethyl (2R)-1-[4-(2-methylpropoxy)benzoyl]pyrrolidine-2-carboxylate
PubChem CID908839
Molecular FormulaC17H23NO4
Molecular Weight305.37 g/mol
Exact Mass305.16
IUPAC Namemethyl (2R)-1-[4-(2-methylpropoxy)benzoyl]pyrrolidine-2-carboxylate
SMILESCOC(=O)[C@H]1CCCN1C(=O)c1ccc(OCC(C)C)cc1
InChIInChI=1S/C17H23NO4/c1-12(2)11-22-14-8-6-13(7-9-14)16(19)18-10-4-5-15(18)17(20)21-3/h6-9,12,15H,4-5,10-11H2,1-3H3/t15-/m1/s1
InChIKeyJOPLXLADHGSXTL-OAHLLOKOSA-N
XLogP2.50
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.37
LogP ≤ 52.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze methyl (2R)-1-[4-(2-methylpropoxy)benzoyl]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

methyl (2R)-1-[4-(3-methylbutoxy)benzoyl]pyrrolidine-2-carboxylate
CID 908918
methyl (2S)-1-(4-propan-2-yloxybenzoyl)pyrrolidine-2-carboxylate
CID 908743
methyl 1-[4-(3-hydroxyprop-1-ynyl)benzoyl]pyrrolidine-2-carboxylate
CID 60816559
methyl (2R)-1-(4-phenylbenzoyl)pyrrolidine-2-carboxylate
CID 833629
methyl 1-[4-(hydroxymethyl)benzoyl]piperidine-2-carboxylate
CID 115535703
methyl 1-[4-(methoxymethyl)benzoyl]piperidine-2-carboxylate
CID 115280090
(2S)-1-(4-ethoxybenzoyl)pyrrolidine-2-carboxylic acid
CID 818098
2-methylpropyl 1-benzoylpiperidine-2-carboxylate
CID 100995685
methyl 1-(4-phenyldiazenylbenzoyl)pyrrolidine-2-carboxylate
CID 610761
methyl (2S)-1-[4-[4-[[1-(2-fluoro-2-methylpropyl)piperidin-4-yl]methoxy]phenyl]benzoyl]pyrrolidine-2-carboxylate
CID 118147856
methyl 1-(3-fluoro-4-methoxybenzoyl)pyrrolidine-2-carboxylate
CID 43410118
methyl (2R)-1-[4-(trifluoromethyl)benzoyl]piperidine-2-carboxylate
CID 25465302

Frequently Asked Questions

What is the IUPAC name of methyl (2R)-1-[4-(2-methylpropoxy)benzoyl]pyrrolidine-2-carboxylate?
The IUPAC name of methyl (2R)-1-[4-(2-methylpropoxy)benzoyl]pyrrolidine-2-carboxylate (CID 908839) is methyl (2R)-1-[4-(2-methylpropoxy)benzoyl]pyrrolidine-2-carboxylate.
What is the SMILES notation for methyl (2R)-1-[4-(2-methylpropoxy)benzoyl]pyrrolidine-2-carboxylate?
The canonical SMILES for methyl (2R)-1-[4-(2-methylpropoxy)benzoyl]pyrrolidine-2-carboxylate is COC(=O)[C@H]1CCCN1C(=O)c1ccc(OCC(C)C)cc1.
What is the InChIKey of methyl (2R)-1-[4-(2-methylpropoxy)benzoyl]pyrrolidine-2-carboxylate?
The InChIKey is JOPLXLADHGSXTL-OAHLLOKOSA-N. The full InChI is InChI=1S/C17H23NO4/c1-12(2)11-22-14-8-6-13(7-9-14)16(19)18-10-4-5-15(18)17(20)21-3/h6-9,12,15H,4-5,10-11H2,1-3H3/t15-/m1/s1.
What are the key properties of methyl (2R)-1-[4-(2-methylpropoxy)benzoyl]pyrrolidine-2-carboxylate?
methyl (2R)-1-[4-(2-methylpropoxy)benzoyl]pyrrolidine-2-carboxylate has a molecular weight of 305.37 g/mol, XLogP of 2.50, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2R)-1-[4-(2-methylpropoxy)benzoyl]pyrrolidine-2-carboxylate is sourced from PubChem (CID 908839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).