3-[6-[(2R)-1-[(1-propylimidazol-2-yl)methyl]pyrrolidin-2-yl]-2-pyridinyl]propanoic acid

C19H26N4O2 — CID 95827389

IUPAC3-[6-[(2R)-1-[(1-propylimidazol-2-yl)methyl]pyrrolidin-2-yl]-2-pyridinyl]propanoic acid
SMILESCCCn1ccnc1CN1CCC[C@@H]1c1cccc(CCC(=O)O)n1
InChIInChI=1S/C19H26N4O2/c1-2-11-22-13-10-20-18(22)14-23-12-4-7-17(23)16-6-3-5-15(21-16)8-9-19(24)25/h3,5-6,10,13,17H,2,4,7-9,11-12,14H2,1H3,(H,24,25)/t17-/m1/s1
InChIKeyJRJRZZGZLZWCHC-QGZVFWFLSA-N
MW342.44 g/mol
LogP3.04
Rot. Bonds8

About 3-[6-[(2R)-1-[(1-propylimidazol-2-yl)methyl]pyrrolidin-2-yl]-2-pyridinyl]propanoic acid

3-[6-[(2R)-1-[(1-propylimidazol-2-yl)methyl]pyrrolidin-2-yl]-2-pyridinyl]propanoic acid (PubChem CID 95827389) has the molecular formula C19H26N4O2 and a molecular weight of 342.44 g/mol. Its IUPAC name is 3-[6-[(2R)-1-[(1-propylimidazol-2-yl)methyl]pyrrolidin-2-yl]-2-pyridinyl]propanoic acid.

Molecular Properties

Compound Name3-[6-[(2R)-1-[(1-propylimidazol-2-yl)methyl]pyrrolidin-2-yl]-2-pyridinyl]propanoic acid
PubChem CID95827389
Molecular FormulaC19H26N4O2
Molecular Weight342.44 g/mol
Exact Mass342.21
IUPAC Name3-[6-[(2R)-1-[(1-propylimidazol-2-yl)methyl]pyrrolidin-2-yl]-2-pyridinyl]propanoic acid
SMILESCCCn1ccnc1CN1CCC[C@@H]1c1cccc(CCC(=O)O)n1
InChIInChI=1S/C19H26N4O2/c1-2-11-22-13-10-20-18(22)14-23-12-4-7-17(23)16-6-3-5-15(21-16)8-9-19(24)25/h3,5-6,10,13,17H,2,4,7-9,11-12,14H2,1H3,(H,24,25)/t17-/m1/s1
InChIKeyJRJRZZGZLZWCHC-QGZVFWFLSA-N
XLogP3.04
TPSA71.25 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.44
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 3-[6-[(2R)-1-[(1-propylimidazol-2-yl)methyl]pyrrolidin-2-yl]-2-pyridinyl]propanoic 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 3-[6-[(2R)-1-[(1-propylimidazol-2-yl)methyl]pyrrolidin-2-yl]-2-pyridinyl]propanoic acid?
The IUPAC name of 3-[6-[(2R)-1-[(1-propylimidazol-2-yl)methyl]pyrrolidin-2-yl]-2-pyridinyl]propanoic acid (CID 95827389) is 3-[6-[(2R)-1-[(1-propylimidazol-2-yl)methyl]pyrrolidin-2-yl]-2-pyridinyl]propanoic acid.
What is the SMILES notation for 3-[6-[(2R)-1-[(1-propylimidazol-2-yl)methyl]pyrrolidin-2-yl]-2-pyridinyl]propanoic acid?
The canonical SMILES for 3-[6-[(2R)-1-[(1-propylimidazol-2-yl)methyl]pyrrolidin-2-yl]-2-pyridinyl]propanoic acid is CCCn1ccnc1CN1CCC[C@@H]1c1cccc(CCC(=O)O)n1.
What is the InChIKey of 3-[6-[(2R)-1-[(1-propylimidazol-2-yl)methyl]pyrrolidin-2-yl]-2-pyridinyl]propanoic acid?
The InChIKey is JRJRZZGZLZWCHC-QGZVFWFLSA-N. The full InChI is InChI=1S/C19H26N4O2/c1-2-11-22-13-10-20-18(22)14-23-12-4-7-17(23)16-6-3-5-15(21-16)8-9-19(24)25/h3,5-6,10,13,17H,2,4,7-9,11-12,14H2,1H3,(H,24,25)/t17-/m1/s1.
What are the key properties of 3-[6-[(2R)-1-[(1-propylimidazol-2-yl)methyl]pyrrolidin-2-yl]-2-pyridinyl]propanoic acid?
3-[6-[(2R)-1-[(1-propylimidazol-2-yl)methyl]pyrrolidin-2-yl]-2-pyridinyl]propanoic acid has a molecular weight of 342.44 g/mol, XLogP of 3.04, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[6-[(2R)-1-[(1-propylimidazol-2-yl)methyl]pyrrolidin-2-yl]-2-pyridinyl]propanoic acid is sourced from PubChem (CID 95827389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).