methyl 4-hydroxy-1-(3-methoxy-4-methylbenzoyl)pyrrolidine-2-carboxylate

C15H19NO5 — CID 115971048

IUPACmethyl 4-hydroxy-1-(3-methoxy-4-methylbenzoyl)pyrrolidine-2-carboxylate
SMILESCOC(=O)C1CC(O)CN1C(=O)c1ccc(C)c(OC)c1
InChIInChI=1S/C15H19NO5/c1-9-4-5-10(6-13(9)20-2)14(18)16-8-11(17)7-12(16)15(19)21-3/h4-6,11-12,17H,7-8H2,1-3H3
InChIKeyHJWLMOJXXKUUOC-UHFFFAOYSA-N
MW293.32 g/mol
LogP0.75
Rot. Bonds3

About methyl 4-hydroxy-1-(3-methoxy-4-methylbenzoyl)pyrrolidine-2-carboxylate

methyl 4-hydroxy-1-(3-methoxy-4-methylbenzoyl)pyrrolidine-2-carboxylate (PubChem CID 115971048) has the molecular formula C15H19NO5 and a molecular weight of 293.32 g/mol. Its IUPAC name is methyl 4-hydroxy-1-(3-methoxy-4-methylbenzoyl)pyrrolidine-2-carboxylate.

Molecular Properties

Compound Namemethyl 4-hydroxy-1-(3-methoxy-4-methylbenzoyl)pyrrolidine-2-carboxylate
PubChem CID115971048
Molecular FormulaC15H19NO5
Molecular Weight293.32 g/mol
Exact Mass293.13
IUPAC Namemethyl 4-hydroxy-1-(3-methoxy-4-methylbenzoyl)pyrrolidine-2-carboxylate
SMILESCOC(=O)C1CC(O)CN1C(=O)c1ccc(C)c(OC)c1
InChIInChI=1S/C15H19NO5/c1-9-4-5-10(6-13(9)20-2)14(18)16-8-11(17)7-12(16)15(19)21-3/h4-6,11-12,17H,7-8H2,1-3H3
InChIKeyHJWLMOJXXKUUOC-UHFFFAOYSA-N
XLogP0.75
TPSA76.07 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.32
LogP ≤ 50.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze methyl 4-hydroxy-1-(3-methoxy-4-methylbenzoyl)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-(3-methoxy-4-methylbenzoyl)azetidine-2-carboxylate
CID 68682554
methyl 4-hydroxy-1-(4-methoxybenzoyl)pyrrolidine-2-carboxylate
CID 19011715
methyl 4-hydroxy-1-(4-hydroxybenzoyl)pyrrolidine-2-carboxylate
CID 112632486
methyl 4-hydroxy-1-(6-methylpyridine-3-carbonyl)pyrrolidine-2-carboxylate
CID 112632300
(2S,4S)-1-(3,4-dimethoxybenzoyl)-4-hydroxypyrrolidine-2-carboxylic acid
CID 30073924
methyl 1-(2,4-dimethylbenzoyl)-4-hydroxypyrrolidine-2-carboxylate
CID 115971329
methyl 1-(4-ethoxybenzoyl)-4-hydroxypyrrolidine-2-carboxylate
CID 115970845
methyl 1-(5-chloro-2-methoxybenzoyl)-4-hydroxypyrrolidine-2-carboxylate
CID 115970982
(2S,4S)-4-methoxy-1-(3-methoxy-4-methylbenzoyl)pyrrolidine-2-carboxamide
CID 128984241
(2S,4S)-1-(3-bromo-4-methoxybenzoyl)-4-hydroxypyrrolidine-2-carboxylic acid
CID 64714587
methyl 4-hydroxy-1-(5-iodothiophene-3-carbonyl)pyrrolidine-2-carboxylate
CID 112632513
methyl (2S,4R)-4-hydroxy-1-(6-pyrrolidin-1-ylpyridine-3-carbonyl)pyrrolidine-2-carboxylate
CID 75448003

Frequently Asked Questions

What is the IUPAC name of methyl 4-hydroxy-1-(3-methoxy-4-methylbenzoyl)pyrrolidine-2-carboxylate?
The IUPAC name of methyl 4-hydroxy-1-(3-methoxy-4-methylbenzoyl)pyrrolidine-2-carboxylate (CID 115971048) is methyl 4-hydroxy-1-(3-methoxy-4-methylbenzoyl)pyrrolidine-2-carboxylate.
What is the SMILES notation for methyl 4-hydroxy-1-(3-methoxy-4-methylbenzoyl)pyrrolidine-2-carboxylate?
The canonical SMILES for methyl 4-hydroxy-1-(3-methoxy-4-methylbenzoyl)pyrrolidine-2-carboxylate is COC(=O)C1CC(O)CN1C(=O)c1ccc(C)c(OC)c1.
What is the InChIKey of methyl 4-hydroxy-1-(3-methoxy-4-methylbenzoyl)pyrrolidine-2-carboxylate?
The InChIKey is HJWLMOJXXKUUOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NO5/c1-9-4-5-10(6-13(9)20-2)14(18)16-8-11(17)7-12(16)15(19)21-3/h4-6,11-12,17H,7-8H2,1-3H3.
What are the key properties of methyl 4-hydroxy-1-(3-methoxy-4-methylbenzoyl)pyrrolidine-2-carboxylate?
methyl 4-hydroxy-1-(3-methoxy-4-methylbenzoyl)pyrrolidine-2-carboxylate has a molecular weight of 293.32 g/mol, XLogP of 0.75, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-hydroxy-1-(3-methoxy-4-methylbenzoyl)pyrrolidine-2-carboxylate is sourced from PubChem (CID 115971048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).