1-[(3,4-dimethoxy-2-pyridinyl)methyl]-4-hydroxypyrrolidine-2-carboxylic acid

C13H18N2O5 — CID 103173538

IUPAC1-[(3,4-dimethoxy-2-pyridinyl)methyl]-4-hydroxypyrrolidine-2-carboxylic acid
SMILESCOc1ccnc(CN2CC(O)CC2C(=O)O)c1OC
InChIInChI=1S/C13H18N2O5/c1-19-11-3-4-14-9(12(11)20-2)7-15-6-8(16)5-10(15)13(17)18/h3-4,8,10,16H,5-7H2,1-2H3,(H,17,18)
InChIKeyWFIWHEXFUHHTAB-UHFFFAOYSA-N
MW282.30 g/mol
LogP0.12
Rot. Bonds5

About 1-[(3,4-dimethoxy-2-pyridinyl)methyl]-4-hydroxypyrrolidine-2-carboxylic acid

1-[(3,4-dimethoxy-2-pyridinyl)methyl]-4-hydroxypyrrolidine-2-carboxylic acid (PubChem CID 103173538) has the molecular formula C13H18N2O5 and a molecular weight of 282.30 g/mol. Its IUPAC name is 1-[(3,4-dimethoxy-2-pyridinyl)methyl]-4-hydroxypyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name1-[(3,4-dimethoxy-2-pyridinyl)methyl]-4-hydroxypyrrolidine-2-carboxylic acid
PubChem CID103173538
Molecular FormulaC13H18N2O5
Molecular Weight282.30 g/mol
Exact Mass282.12
IUPAC Name1-[(3,4-dimethoxy-2-pyridinyl)methyl]-4-hydroxypyrrolidine-2-carboxylic acid
SMILESCOc1ccnc(CN2CC(O)CC2C(=O)O)c1OC
InChIInChI=1S/C13H18N2O5/c1-19-11-3-4-14-9(12(11)20-2)7-15-6-8(16)5-10(15)13(17)18/h3-4,8,10,16H,5-7H2,1-2H3,(H,17,18)
InChIKeyWFIWHEXFUHHTAB-UHFFFAOYSA-N
XLogP0.12
TPSA92.12 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.30
LogP ≤ 50.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 1-[(3,4-dimethoxy-2-pyridinyl)methyl]-4-hydroxypyrrolidine-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-[(3,4-dimethoxy-2-pyridinyl)methyl]-4-hydroxypyrrolidine-2-carboxylic acid?
The IUPAC name of 1-[(3,4-dimethoxy-2-pyridinyl)methyl]-4-hydroxypyrrolidine-2-carboxylic acid (CID 103173538) is 1-[(3,4-dimethoxy-2-pyridinyl)methyl]-4-hydroxypyrrolidine-2-carboxylic acid.
What is the SMILES notation for 1-[(3,4-dimethoxy-2-pyridinyl)methyl]-4-hydroxypyrrolidine-2-carboxylic acid?
The canonical SMILES for 1-[(3,4-dimethoxy-2-pyridinyl)methyl]-4-hydroxypyrrolidine-2-carboxylic acid is COc1ccnc(CN2CC(O)CC2C(=O)O)c1OC.
What is the InChIKey of 1-[(3,4-dimethoxy-2-pyridinyl)methyl]-4-hydroxypyrrolidine-2-carboxylic acid?
The InChIKey is WFIWHEXFUHHTAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O5/c1-19-11-3-4-14-9(12(11)20-2)7-15-6-8(16)5-10(15)13(17)18/h3-4,8,10,16H,5-7H2,1-2H3,(H,17,18).
What are the key properties of 1-[(3,4-dimethoxy-2-pyridinyl)methyl]-4-hydroxypyrrolidine-2-carboxylic acid?
1-[(3,4-dimethoxy-2-pyridinyl)methyl]-4-hydroxypyrrolidine-2-carboxylic acid has a molecular weight of 282.30 g/mol, XLogP of 0.12, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3,4-dimethoxy-2-pyridinyl)methyl]-4-hydroxypyrrolidine-2-carboxylic acid is sourced from PubChem (CID 103173538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).