1-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-3-methylpyrrolidine-2-carboxylic acid

C15H22N2O3 — CID 102785136

IUPAC1-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-3-methylpyrrolidine-2-carboxylic acid
SMILESCOc1c(C)cnc(CN2CCC(C)C2C(=O)O)c1C
InChIInChI=1S/C15H22N2O3/c1-9-5-6-17(13(9)15(18)19)8-12-11(3)14(20-4)10(2)7-16-12/h7,9,13H,5-6,8H2,1-4H3,(H,18,19)
InChIKeyFVGUJFPIKVNSGB-UHFFFAOYSA-N
MW278.35 g/mol
LogP2.00
Rot. Bonds4

About 1-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-3-methylpyrrolidine-2-carboxylic acid

1-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-3-methylpyrrolidine-2-carboxylic acid (PubChem CID 102785136) has the molecular formula C15H22N2O3 and a molecular weight of 278.35 g/mol. Its IUPAC name is 1-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-3-methylpyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name1-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-3-methylpyrrolidine-2-carboxylic acid
PubChem CID102785136
Molecular FormulaC15H22N2O3
Molecular Weight278.35 g/mol
Exact Mass278.16
IUPAC Name1-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-3-methylpyrrolidine-2-carboxylic acid
SMILESCOc1c(C)cnc(CN2CCC(C)C2C(=O)O)c1C
InChIInChI=1S/C15H22N2O3/c1-9-5-6-17(13(9)15(18)19)8-12-11(3)14(20-4)10(2)7-16-12/h7,9,13H,5-6,8H2,1-4H3,(H,18,19)
InChIKeyFVGUJFPIKVNSGB-UHFFFAOYSA-N
XLogP2.00
TPSA62.66 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.35
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-3-methylpyrrolidine-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 1-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-3-methylpyrrolidine-2-carboxylic acid?
The IUPAC name of 1-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-3-methylpyrrolidine-2-carboxylic acid (CID 102785136) is 1-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-3-methylpyrrolidine-2-carboxylic acid.
What is the SMILES notation for 1-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-3-methylpyrrolidine-2-carboxylic acid?
The canonical SMILES for 1-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-3-methylpyrrolidine-2-carboxylic acid is COc1c(C)cnc(CN2CCC(C)C2C(=O)O)c1C.
What is the InChIKey of 1-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-3-methylpyrrolidine-2-carboxylic acid?
The InChIKey is FVGUJFPIKVNSGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O3/c1-9-5-6-17(13(9)15(18)19)8-12-11(3)14(20-4)10(2)7-16-12/h7,9,13H,5-6,8H2,1-4H3,(H,18,19).
What are the key properties of 1-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-3-methylpyrrolidine-2-carboxylic acid?
1-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-3-methylpyrrolidine-2-carboxylic acid has a molecular weight of 278.35 g/mol, XLogP of 2.00, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-3-methylpyrrolidine-2-carboxylic acid is sourced from PubChem (CID 102785136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).