methyl 1-(4-ethoxybenzoyl)-4-hydroxypyrrolidine-2-carboxylate

C15H19NO5 — CID 115970845

IUPACmethyl 1-(4-ethoxybenzoyl)-4-hydroxypyrrolidine-2-carboxylate
SMILESCCOc1ccc(C(=O)N2CC(O)CC2C(=O)OC)cc1
InChIInChI=1S/C15H19NO5/c1-3-21-12-6-4-10(5-7-12)14(18)16-9-11(17)8-13(16)15(19)20-2/h4-7,11,13,17H,3,8-9H2,1-2H3
InChIKeyJGIWRLMENFRUEF-UHFFFAOYSA-N
MW293.32 g/mol
LogP0.83
Rot. Bonds4

About methyl 1-(4-ethoxybenzoyl)-4-hydroxypyrrolidine-2-carboxylate

methyl 1-(4-ethoxybenzoyl)-4-hydroxypyrrolidine-2-carboxylate (PubChem CID 115970845) has the molecular formula C15H19NO5 and a molecular weight of 293.32 g/mol. Its IUPAC name is methyl 1-(4-ethoxybenzoyl)-4-hydroxypyrrolidine-2-carboxylate.

Molecular Properties

Compound Namemethyl 1-(4-ethoxybenzoyl)-4-hydroxypyrrolidine-2-carboxylate
PubChem CID115970845
Molecular FormulaC15H19NO5
Molecular Weight293.32 g/mol
Exact Mass293.13
IUPAC Namemethyl 1-(4-ethoxybenzoyl)-4-hydroxypyrrolidine-2-carboxylate
SMILESCCOc1ccc(C(=O)N2CC(O)CC2C(=O)OC)cc1
InChIInChI=1S/C15H19NO5/c1-3-21-12-6-4-10(5-7-12)14(18)16-9-11(17)8-13(16)15(19)20-2/h4-7,11,13,17H,3,8-9H2,1-2H3
InChIKeyJGIWRLMENFRUEF-UHFFFAOYSA-N
XLogP0.83
TPSA76.07 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.32
LogP ≤ 50.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze methyl 1-(4-ethoxybenzoyl)-4-hydroxypyrrolidine-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 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
methyl 4-hydroxy-1-(3-methoxy-4-methylbenzoyl)pyrrolidine-2-carboxylate
CID 115971048
methyl (2S,4R)-4-hydroxy-1-(6-pyrrolidin-1-ylpyridine-3-carbonyl)pyrrolidine-2-carboxylate
CID 75448003
(4-ethoxyphenyl)-(2-thia-5-azabicyclo[2.2.1]heptan-5-yl)methanone
CID 122272692
(2R,4R)-1-[(4-ethoxyphenyl)carbamoyl]-4-hydroxypyrrolidine-2-carboxylic acid
CID 79000351
methyl 4-hydroxy-1-(5-iodothiophene-3-carbonyl)pyrrolidine-2-carboxylate
CID 112632513
methyl 1-(2,4-dimethylbenzoyl)-4-hydroxypyrrolidine-2-carboxylate
CID 115971329
N-ethoxy-1-(4-fluorobenzoyl)-4-hydroxypyrrolidine-2-carboxamide
CID 154857645
methyl (2S,4S)-1-(furan-2-carbonyl)-4-hydroxypyrrolidine-2-carboxylate
CID 1480349
(4-ethoxyphenyl)-[(3R)-3-hydroxypyrrolidin-1-yl]methanone
CID 66261765

Frequently Asked Questions

What is the IUPAC name of methyl 1-(4-ethoxybenzoyl)-4-hydroxypyrrolidine-2-carboxylate?
The IUPAC name of methyl 1-(4-ethoxybenzoyl)-4-hydroxypyrrolidine-2-carboxylate (CID 115970845) is methyl 1-(4-ethoxybenzoyl)-4-hydroxypyrrolidine-2-carboxylate.
What is the SMILES notation for methyl 1-(4-ethoxybenzoyl)-4-hydroxypyrrolidine-2-carboxylate?
The canonical SMILES for methyl 1-(4-ethoxybenzoyl)-4-hydroxypyrrolidine-2-carboxylate is CCOc1ccc(C(=O)N2CC(O)CC2C(=O)OC)cc1.
What is the InChIKey of methyl 1-(4-ethoxybenzoyl)-4-hydroxypyrrolidine-2-carboxylate?
The InChIKey is JGIWRLMENFRUEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NO5/c1-3-21-12-6-4-10(5-7-12)14(18)16-9-11(17)8-13(16)15(19)20-2/h4-7,11,13,17H,3,8-9H2,1-2H3.
What are the key properties of methyl 1-(4-ethoxybenzoyl)-4-hydroxypyrrolidine-2-carboxylate?
methyl 1-(4-ethoxybenzoyl)-4-hydroxypyrrolidine-2-carboxylate has a molecular weight of 293.32 g/mol, XLogP of 0.83, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-(4-ethoxybenzoyl)-4-hydroxypyrrolidine-2-carboxylate is sourced from PubChem (CID 115970845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).