3-methoxy-2-[(5-methylimidazo[1,2-a]pyridine-2-carbonyl)amino]propanoic acid

C13H15N3O4 — CID 81077384

IUPAC3-methoxy-2-[(5-methylimidazo[1,2-a]pyridine-2-carbonyl)amino]propanoic acid
SMILESCOCC(NC(=O)c1cn2c(C)cccc2n1)C(=O)O
InChIInChI=1S/C13H15N3O4/c1-8-4-3-5-11-14-9(6-16(8)11)12(17)15-10(7-20-2)13(18)19/h3-6,10H,7H2,1-2H3,(H,15,17)(H,18,19)
InChIKeyMMYPQHRAKRQOQP-UHFFFAOYSA-N
MW277.28 g/mol
LogP0.47
Rot. Bonds5

About 3-methoxy-2-[(5-methylimidazo[1,2-a]pyridine-2-carbonyl)amino]propanoic acid

3-methoxy-2-[(5-methylimidazo[1,2-a]pyridine-2-carbonyl)amino]propanoic acid (PubChem CID 81077384) has the molecular formula C13H15N3O4 and a molecular weight of 277.28 g/mol. Its IUPAC name is 3-methoxy-2-[(5-methylimidazo[1,2-a]pyridine-2-carbonyl)amino]propanoic acid.

Molecular Properties

Compound Name3-methoxy-2-[(5-methylimidazo[1,2-a]pyridine-2-carbonyl)amino]propanoic acid
PubChem CID81077384
Molecular FormulaC13H15N3O4
Molecular Weight277.28 g/mol
Exact Mass277.11
IUPAC Name3-methoxy-2-[(5-methylimidazo[1,2-a]pyridine-2-carbonyl)amino]propanoic acid
SMILESCOCC(NC(=O)c1cn2c(C)cccc2n1)C(=O)O
InChIInChI=1S/C13H15N3O4/c1-8-4-3-5-11-14-9(6-16(8)11)12(17)15-10(7-20-2)13(18)19/h3-6,10H,7H2,1-2H3,(H,15,17)(H,18,19)
InChIKeyMMYPQHRAKRQOQP-UHFFFAOYSA-N
XLogP0.47
TPSA92.93 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.28
LogP ≤ 50.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 3-hydroxy-2-[(5-methylimidazo[1,2-a]pyridine-2-carbonyl)amino]propanoate
CID 43408753
N-(1,3-dihydroxypropan-2-yl)-5-methylimidazo[1,2-a]pyridine-2-carboxamide
CID 65314901
3-hydroxy-2-[(5-methylimidazo[1,2-a]pyridine-2-carbonyl)amino]butanoic acid
CID 43353577
5-methylimidazo[1,2-a]pyridine-2-carbohydrazide
CID 43236612
N-(1-hydroxybutan-2-yl)-5-methylimidazo[1,2-a]pyridine-2-carboxamide
CID 43417880
(3R)-3-[(5-methylimidazo[1,2-a]pyridine-2-carbonyl)amino]-3-thiophen-2-ylpropanoic acid
CID 95572538
N-[1-(3-fluoro-4-methoxyphenyl)ethyl]-5-methylimidazo[1,2-a]pyridine-2-carboxamide
CID 18200859
2,2-dimethyl-3-[(5-methylimidazo[1,2-a]pyridine-2-carbonyl)amino]propanoic acid
CID 81368196
3-methoxy-2-(naphthalene-1-carbonylamino)propanoic acid
CID 70817249
N-(5-hydroxypentyl)-5-methylimidazo[1,2-a]pyridine-2-carboxamide
CID 107319165
6-[(5-methylimidazo[1,2-a]pyridine-2-carbonyl)amino]hexanoic acid
CID 39186729
(2S)-2-benzamido-3-methoxypropanoic acid
CID 54400188

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-2-[(5-methylimidazo[1,2-a]pyridine-2-carbonyl)amino]propanoic acid?
The IUPAC name of 3-methoxy-2-[(5-methylimidazo[1,2-a]pyridine-2-carbonyl)amino]propanoic acid (CID 81077384) is 3-methoxy-2-[(5-methylimidazo[1,2-a]pyridine-2-carbonyl)amino]propanoic acid.
What is the SMILES notation for 3-methoxy-2-[(5-methylimidazo[1,2-a]pyridine-2-carbonyl)amino]propanoic acid?
The canonical SMILES for 3-methoxy-2-[(5-methylimidazo[1,2-a]pyridine-2-carbonyl)amino]propanoic acid is COCC(NC(=O)c1cn2c(C)cccc2n1)C(=O)O.
What is the InChIKey of 3-methoxy-2-[(5-methylimidazo[1,2-a]pyridine-2-carbonyl)amino]propanoic acid?
The InChIKey is MMYPQHRAKRQOQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O4/c1-8-4-3-5-11-14-9(6-16(8)11)12(17)15-10(7-20-2)13(18)19/h3-6,10H,7H2,1-2H3,(H,15,17)(H,18,19).
What are the key properties of 3-methoxy-2-[(5-methylimidazo[1,2-a]pyridine-2-carbonyl)amino]propanoic acid?
3-methoxy-2-[(5-methylimidazo[1,2-a]pyridine-2-carbonyl)amino]propanoic acid has a molecular weight of 277.28 g/mol, XLogP of 0.47, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-2-[(5-methylimidazo[1,2-a]pyridine-2-carbonyl)amino]propanoic acid is sourced from PubChem (CID 81077384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).