methyl 5-oxo-1-(2-propan-2-yloxyphenyl)pyrrolidine-3-carboxylate

C15H19NO4 — CID 168692995

IUPACmethyl 5-oxo-1-(2-propan-2-yloxyphenyl)pyrrolidine-3-carboxylate
SMILESCOC(=O)C1CC(=O)N(c2ccccc2OC(C)C)C1
InChIInChI=1S/C15H19NO4/c1-10(2)20-13-7-5-4-6-12(13)16-9-11(8-14(16)17)15(18)19-3/h4-7,10-11H,8-9H2,1-3H3
InChIKeyUHJDTFAXKSHWBC-UHFFFAOYSA-N
MW277.32 g/mol
LogP2.00
Rot. Bonds4

About methyl 5-oxo-1-(2-propan-2-yloxyphenyl)pyrrolidine-3-carboxylate

methyl 5-oxo-1-(2-propan-2-yloxyphenyl)pyrrolidine-3-carboxylate (PubChem CID 168692995) has the molecular formula C15H19NO4 and a molecular weight of 277.32 g/mol. Its IUPAC name is methyl 5-oxo-1-(2-propan-2-yloxyphenyl)pyrrolidine-3-carboxylate.

Molecular Properties

Compound Namemethyl 5-oxo-1-(2-propan-2-yloxyphenyl)pyrrolidine-3-carboxylate
PubChem CID168692995
Molecular FormulaC15H19NO4
Molecular Weight277.32 g/mol
Exact Mass277.13
IUPAC Namemethyl 5-oxo-1-(2-propan-2-yloxyphenyl)pyrrolidine-3-carboxylate
SMILESCOC(=O)C1CC(=O)N(c2ccccc2OC(C)C)C1
InChIInChI=1S/C15H19NO4/c1-10(2)20-13-7-5-4-6-12(13)16-9-11(8-14(16)17)15(18)19-3/h4-7,10-11H,8-9H2,1-3H3
InChIKeyUHJDTFAXKSHWBC-UHFFFAOYSA-N
XLogP2.00
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.32
LogP ≤ 52.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze methyl 5-oxo-1-(2-propan-2-yloxyphenyl)pyrrolidine-3-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

5-oxo-1-(2-propan-2-yloxyphenyl)-N-prop-2-enylpyrrolidine-3-carboxamide
CID 113188240
N-cyclopentyl-5-oxo-1-(2-propan-2-yloxyphenyl)pyrrolidine-3-carboxamide
CID 113188245
methyl 1-[2-(1-hydroxyethyl)phenyl]-5-oxopyrrolidine-3-carboxylate
CID 168692598
5-oxo-1-(2-propan-2-yloxyphenyl)-N-(4-propan-2-yloxyphenyl)pyrrolidine-3-carboxamide
CID 113188343
N-(4-methylphenyl)-5-oxo-1-(2-propan-2-yloxyphenyl)pyrrolidine-3-carboxamide
CID 113188305
N-butyl-5-oxo-1-(2-propan-2-yloxyphenyl)pyrrolidine-3-carboxamide
CID 113188241
methyl 1-(2-iodophenyl)-5-oxopyrrolidine-3-carboxylate
CID 168694888
methyl (3S)-1-(2-fluorophenyl)-5-oxopyrrolidine-3-carboxylate
CID 94075738
methyl 5-oxo-1-(2-pyrrolidin-1-ylphenyl)pyrrolidine-3-carboxylate
CID 50879609
N-[2-(3-methoxyphenyl)ethyl]-5-oxo-1-(2-propan-2-yloxyphenyl)pyrrolidine-3-carboxamide
CID 113188284
methyl (3S)-5-oxo-1-(2-piperidin-1-ylphenyl)pyrrolidine-3-carboxylate
CID 94077585
methyl 1-(2-chloro-3-methoxyphenyl)-5-oxopyrrolidine-3-carboxylate
CID 168693481

Frequently Asked Questions

What is the IUPAC name of methyl 5-oxo-1-(2-propan-2-yloxyphenyl)pyrrolidine-3-carboxylate?
The IUPAC name of methyl 5-oxo-1-(2-propan-2-yloxyphenyl)pyrrolidine-3-carboxylate (CID 168692995) is methyl 5-oxo-1-(2-propan-2-yloxyphenyl)pyrrolidine-3-carboxylate.
What is the SMILES notation for methyl 5-oxo-1-(2-propan-2-yloxyphenyl)pyrrolidine-3-carboxylate?
The canonical SMILES for methyl 5-oxo-1-(2-propan-2-yloxyphenyl)pyrrolidine-3-carboxylate is COC(=O)C1CC(=O)N(c2ccccc2OC(C)C)C1.
What is the InChIKey of methyl 5-oxo-1-(2-propan-2-yloxyphenyl)pyrrolidine-3-carboxylate?
The InChIKey is UHJDTFAXKSHWBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NO4/c1-10(2)20-13-7-5-4-6-12(13)16-9-11(8-14(16)17)15(18)19-3/h4-7,10-11H,8-9H2,1-3H3.
What are the key properties of methyl 5-oxo-1-(2-propan-2-yloxyphenyl)pyrrolidine-3-carboxylate?
methyl 5-oxo-1-(2-propan-2-yloxyphenyl)pyrrolidine-3-carboxylate has a molecular weight of 277.32 g/mol, XLogP of 2.00, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-oxo-1-(2-propan-2-yloxyphenyl)pyrrolidine-3-carboxylate is sourced from PubChem (CID 168692995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).