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

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

Related Compounds

1-Benzyl-1H-1,3,4b,9-tetraaza-fluorene-2,4-dione
CID 21604934
Pimefyllin
CID 65597
8-(3-Pyridyl)theophylline
CID 100380
Imidazo[1,2-a]pyridine-2-carboxylic acid
CID 2062168
1-benzyl-3-propyl-1H,3H-pyrido(2,1-f)purine-2,4-dione
CID 10359522
Imidazopyridine 18b
CID 5329352
2-Methylimidazo[1,2-a]pyridine-3-carbohydrazide
CID 700959
Imidazo(1,2-a)pyridine-3-carboxylic acid
CID 73142
2-Methylimidazo(1,2-a)pyridine-3-carboxylic acid
CID 89054
4H-Imidazo(4,5-c)(1,8)naphthyridin-4-one, 3,5-dihydro-5-butyl-3-methyl-
CID 3071975
1-{2-Methylimidazo[1,2-a]pyridin-3-yl}ethan-1-one
CID 2735255
2,6-dimethyl-N'-(1-methyl-4-piperidinylidene)imidazo[1,2-a]pyridine-3-carbohydrazide
CID 716056

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).