3-[imidazo[1,2-a]pyridin-2-ylmethyl(propan-2-yl)amino]propanoic acid

C14H19N3O2 — CID 60839321

IUPAC3-[imidazo[1,2-a]pyridin-2-ylmethyl(propan-2-yl)amino]propanoic acid
SMILESCC(C)N(CCC(=O)O)Cc1cn2ccccc2n1
InChIInChI=1S/C14H19N3O2/c1-11(2)16(8-6-14(18)19)9-12-10-17-7-4-3-5-13(17)15-12/h3-5,7,10-11H,6,8-9H2,1-2H3,(H,18,19)
InChIKeyOHXZQYDGCWYXCO-UHFFFAOYSA-N
MW261.32 g/mol
LogP2.02
Rot. Bonds6

About 3-[imidazo[1,2-a]pyridin-2-ylmethyl(propan-2-yl)amino]propanoic acid

3-[imidazo[1,2-a]pyridin-2-ylmethyl(propan-2-yl)amino]propanoic acid (PubChem CID 60839321) has the molecular formula C14H19N3O2 and a molecular weight of 261.32 g/mol. Its IUPAC name is 3-[imidazo[1,2-a]pyridin-2-ylmethyl(propan-2-yl)amino]propanoic acid.

Molecular Properties

Compound Name3-[imidazo[1,2-a]pyridin-2-ylmethyl(propan-2-yl)amino]propanoic acid
PubChem CID60839321
Molecular FormulaC14H19N3O2
Molecular Weight261.32 g/mol
Exact Mass261.15
IUPAC Name3-[imidazo[1,2-a]pyridin-2-ylmethyl(propan-2-yl)amino]propanoic acid
SMILESCC(C)N(CCC(=O)O)Cc1cn2ccccc2n1
InChIInChI=1S/C14H19N3O2/c1-11(2)16(8-6-14(18)19)9-12-10-17-7-4-3-5-13(17)15-12/h3-5,7,10-11H,6,8-9H2,1-2H3,(H,18,19)
InChIKeyOHXZQYDGCWYXCO-UHFFFAOYSA-N
XLogP2.02
TPSA57.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.32
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[imidazo[1,2-a]pyridin-2-ylmethyl(propan-2-yl)amino]propanoic acid?
The IUPAC name of 3-[imidazo[1,2-a]pyridin-2-ylmethyl(propan-2-yl)amino]propanoic acid (CID 60839321) is 3-[imidazo[1,2-a]pyridin-2-ylmethyl(propan-2-yl)amino]propanoic acid.
What is the SMILES notation for 3-[imidazo[1,2-a]pyridin-2-ylmethyl(propan-2-yl)amino]propanoic acid?
The canonical SMILES for 3-[imidazo[1,2-a]pyridin-2-ylmethyl(propan-2-yl)amino]propanoic acid is CC(C)N(CCC(=O)O)Cc1cn2ccccc2n1.
What is the InChIKey of 3-[imidazo[1,2-a]pyridin-2-ylmethyl(propan-2-yl)amino]propanoic acid?
The InChIKey is OHXZQYDGCWYXCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O2/c1-11(2)16(8-6-14(18)19)9-12-10-17-7-4-3-5-13(17)15-12/h3-5,7,10-11H,6,8-9H2,1-2H3,(H,18,19).
What are the key properties of 3-[imidazo[1,2-a]pyridin-2-ylmethyl(propan-2-yl)amino]propanoic acid?
3-[imidazo[1,2-a]pyridin-2-ylmethyl(propan-2-yl)amino]propanoic acid has a molecular weight of 261.32 g/mol, XLogP of 2.02, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[imidazo[1,2-a]pyridin-2-ylmethyl(propan-2-yl)amino]propanoic acid is sourced from PubChem (CID 60839321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).