2-(aminomethyl)-4-methyl-2-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-ylmethyl)pentanoic acid

C15H25N3O2 — CID 106489076

IUPAC2-(aminomethyl)-4-methyl-2-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-ylmethyl)pentanoic acid
SMILESCC(C)CC(CN)(Cc1cn2c(n1)CCCC2)C(=O)O
InChIInChI=1S/C15H25N3O2/c1-11(2)7-15(10-16,14(19)20)8-12-9-18-6-4-3-5-13(18)17-12/h9,11H,3-8,10,16H2,1-2H3,(H,19,20)
InChIKeyISNMPTNJYMNEAT-UHFFFAOYSA-N
MW279.38 g/mol
LogP1.84
Rot. Bonds6

About 2-(aminomethyl)-4-methyl-2-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-ylmethyl)pentanoic acid

2-(aminomethyl)-4-methyl-2-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-ylmethyl)pentanoic acid (PubChem CID 106489076) has the molecular formula C15H25N3O2 and a molecular weight of 279.38 g/mol. Its IUPAC name is 2-(aminomethyl)-4-methyl-2-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-ylmethyl)pentanoic acid.

Molecular Properties

Compound Name2-(aminomethyl)-4-methyl-2-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-ylmethyl)pentanoic acid
PubChem CID106489076
Molecular FormulaC15H25N3O2
Molecular Weight279.38 g/mol
Exact Mass279.19
IUPAC Name2-(aminomethyl)-4-methyl-2-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-ylmethyl)pentanoic acid
SMILESCC(C)CC(CN)(Cc1cn2c(n1)CCCC2)C(=O)O
InChIInChI=1S/C15H25N3O2/c1-11(2)7-15(10-16,14(19)20)8-12-9-18-6-4-3-5-13(18)17-12/h9,11H,3-8,10,16H2,1-2H3,(H,19,20)
InChIKeyISNMPTNJYMNEAT-UHFFFAOYSA-N
XLogP1.84
TPSA81.14 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.38
LogP ≤ 51.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-(aminomethyl)-4-methyl-2-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-ylmethyl)pentanoic 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 2-(aminomethyl)-4-methyl-2-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-ylmethyl)pentanoic acid?
The IUPAC name of 2-(aminomethyl)-4-methyl-2-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-ylmethyl)pentanoic acid (CID 106489076) is 2-(aminomethyl)-4-methyl-2-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-ylmethyl)pentanoic acid.
What is the SMILES notation for 2-(aminomethyl)-4-methyl-2-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-ylmethyl)pentanoic acid?
The canonical SMILES for 2-(aminomethyl)-4-methyl-2-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-ylmethyl)pentanoic acid is CC(C)CC(CN)(Cc1cn2c(n1)CCCC2)C(=O)O.
What is the InChIKey of 2-(aminomethyl)-4-methyl-2-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-ylmethyl)pentanoic acid?
The InChIKey is ISNMPTNJYMNEAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3O2/c1-11(2)7-15(10-16,14(19)20)8-12-9-18-6-4-3-5-13(18)17-12/h9,11H,3-8,10,16H2,1-2H3,(H,19,20).
What are the key properties of 2-(aminomethyl)-4-methyl-2-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-ylmethyl)pentanoic acid?
2-(aminomethyl)-4-methyl-2-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-ylmethyl)pentanoic acid has a molecular weight of 279.38 g/mol, XLogP of 1.84, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-4-methyl-2-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-ylmethyl)pentanoic acid is sourced from PubChem (CID 106489076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).