3-[(2,8-dimethylimidazo[1,2-a]pyridine-3-carbonyl)-methylamino]propanoic acid

C14H17N3O3 — CID 39186541

IUPAC3-[(2,8-dimethylimidazo[1,2-a]pyridine-3-carbonyl)-methylamino]propanoic acid
SMILESCc1nc2c(C)cccn2c1C(=O)N(C)CCC(=O)O
InChIInChI=1S/C14H17N3O3/c1-9-5-4-7-17-12(10(2)15-13(9)17)14(20)16(3)8-6-11(18)19/h4-5,7H,6,8H2,1-3H3,(H,18,19)
InChIKeyADEDVZIEGXGEEW-UHFFFAOYSA-N
MW275.31 g/mol
LogP1.50
Rot. Bonds4

About 3-[(2,8-dimethylimidazo[1,2-a]pyridine-3-carbonyl)-methylamino]propanoic acid

3-[(2,8-dimethylimidazo[1,2-a]pyridine-3-carbonyl)-methylamino]propanoic acid (PubChem CID 39186541) has the molecular formula C14H17N3O3 and a molecular weight of 275.31 g/mol. Its IUPAC name is 3-[(2,8-dimethylimidazo[1,2-a]pyridine-3-carbonyl)-methylamino]propanoic acid.

Molecular Properties

Compound Name3-[(2,8-dimethylimidazo[1,2-a]pyridine-3-carbonyl)-methylamino]propanoic acid
PubChem CID39186541
Molecular FormulaC14H17N3O3
Molecular Weight275.31 g/mol
Exact Mass275.13
IUPAC Name3-[(2,8-dimethylimidazo[1,2-a]pyridine-3-carbonyl)-methylamino]propanoic acid
SMILESCc1nc2c(C)cccn2c1C(=O)N(C)CCC(=O)O
InChIInChI=1S/C14H17N3O3/c1-9-5-4-7-17-12(10(2)15-13(9)17)14(20)16(3)8-6-11(18)19/h4-5,7H,6,8H2,1-3H3,(H,18,19)
InChIKeyADEDVZIEGXGEEW-UHFFFAOYSA-N
XLogP1.50
TPSA74.91 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.31
LogP ≤ 51.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[(2,8-dimethylimidazo[1,2-a]pyridine-3-carbonyl)-methylamino]propanoic acid?
The IUPAC name of 3-[(2,8-dimethylimidazo[1,2-a]pyridine-3-carbonyl)-methylamino]propanoic acid (CID 39186541) is 3-[(2,8-dimethylimidazo[1,2-a]pyridine-3-carbonyl)-methylamino]propanoic acid.
What is the SMILES notation for 3-[(2,8-dimethylimidazo[1,2-a]pyridine-3-carbonyl)-methylamino]propanoic acid?
The canonical SMILES for 3-[(2,8-dimethylimidazo[1,2-a]pyridine-3-carbonyl)-methylamino]propanoic acid is Cc1nc2c(C)cccn2c1C(=O)N(C)CCC(=O)O.
What is the InChIKey of 3-[(2,8-dimethylimidazo[1,2-a]pyridine-3-carbonyl)-methylamino]propanoic acid?
The InChIKey is ADEDVZIEGXGEEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O3/c1-9-5-4-7-17-12(10(2)15-13(9)17)14(20)16(3)8-6-11(18)19/h4-5,7H,6,8H2,1-3H3,(H,18,19).
What are the key properties of 3-[(2,8-dimethylimidazo[1,2-a]pyridine-3-carbonyl)-methylamino]propanoic acid?
3-[(2,8-dimethylimidazo[1,2-a]pyridine-3-carbonyl)-methylamino]propanoic acid has a molecular weight of 275.31 g/mol, XLogP of 1.50, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2,8-dimethylimidazo[1,2-a]pyridine-3-carbonyl)-methylamino]propanoic acid is sourced from PubChem (CID 39186541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).