4-methoxy-2-methyl-1-phenylmethoxycarbonylpyrrolidine-2-carboxylic acid

C15H19NO5 — CID 131632028

IUPAC4-methoxy-2-methyl-1-phenylmethoxycarbonylpyrrolidine-2-carboxylic acid
SMILESCOC1CN(C(=O)OCc2ccccc2)C(C)(C(=O)O)C1
InChIInChI=1S/C15H19NO5/c1-15(13(17)18)8-12(20-2)9-16(15)14(19)21-10-11-6-4-3-5-7-11/h3-7,12H,8-10H2,1-2H3,(H,17,18)
InChIKeyUQFACOHOWNNHCO-UHFFFAOYSA-N
MW293.32 g/mol
LogP1.89
Rot. Bonds4

About 4-methoxy-2-methyl-1-phenylmethoxycarbonylpyrrolidine-2-carboxylic acid

4-methoxy-2-methyl-1-phenylmethoxycarbonylpyrrolidine-2-carboxylic acid (PubChem CID 131632028) has the molecular formula C15H19NO5 and a molecular weight of 293.32 g/mol. Its IUPAC name is 4-methoxy-2-methyl-1-phenylmethoxycarbonylpyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name4-methoxy-2-methyl-1-phenylmethoxycarbonylpyrrolidine-2-carboxylic acid
PubChem CID131632028
Molecular FormulaC15H19NO5
Molecular Weight293.32 g/mol
Exact Mass293.13
IUPAC Name4-methoxy-2-methyl-1-phenylmethoxycarbonylpyrrolidine-2-carboxylic acid
SMILESCOC1CN(C(=O)OCc2ccccc2)C(C)(C(=O)O)C1
InChIInChI=1S/C15H19NO5/c1-15(13(17)18)8-12(20-2)9-16(15)14(19)21-10-11-6-4-3-5-7-11/h3-7,12H,8-10H2,1-2H3,(H,17,18)
InChIKeyUQFACOHOWNNHCO-UHFFFAOYSA-N
XLogP1.89
TPSA76.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.32
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 4-methoxy-2-methyl-1-phenylmethoxycarbonylpyrrolidine-2-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-2-methyl-1-phenylmethoxycarbonylpyrrolidine-2-carboxylic acid?
The IUPAC name of 4-methoxy-2-methyl-1-phenylmethoxycarbonylpyrrolidine-2-carboxylic acid (CID 131632028) is 4-methoxy-2-methyl-1-phenylmethoxycarbonylpyrrolidine-2-carboxylic acid.
What is the SMILES notation for 4-methoxy-2-methyl-1-phenylmethoxycarbonylpyrrolidine-2-carboxylic acid?
The canonical SMILES for 4-methoxy-2-methyl-1-phenylmethoxycarbonylpyrrolidine-2-carboxylic acid is COC1CN(C(=O)OCc2ccccc2)C(C)(C(=O)O)C1.
What is the InChIKey of 4-methoxy-2-methyl-1-phenylmethoxycarbonylpyrrolidine-2-carboxylic acid?
The InChIKey is UQFACOHOWNNHCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NO5/c1-15(13(17)18)8-12(20-2)9-16(15)14(19)21-10-11-6-4-3-5-7-11/h3-7,12H,8-10H2,1-2H3,(H,17,18).
What are the key properties of 4-methoxy-2-methyl-1-phenylmethoxycarbonylpyrrolidine-2-carboxylic acid?
4-methoxy-2-methyl-1-phenylmethoxycarbonylpyrrolidine-2-carboxylic acid has a molecular weight of 293.32 g/mol, XLogP of 1.89, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-2-methyl-1-phenylmethoxycarbonylpyrrolidine-2-carboxylic acid is sourced from PubChem (CID 131632028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).