(3R)-3-[(5-methylimidazo[1,2-a]pyridine-2-carbonyl)amino]-3-thiophen-2-ylpropanoic acid

C16H15N3O3S — CID 95572538

IUPAC(3R)-3-[(5-methylimidazo[1,2-a]pyridine-2-carbonyl)amino]-3-thiophen-2-ylpropanoic acid
SMILESCc1cccc2nc(C(=O)N[C@H](CC(=O)O)c3cccs3)cn12
InChIInChI=1S/C16H15N3O3S/c1-10-4-2-6-14-17-12(9-19(10)14)16(22)18-11(8-15(20)21)13-5-3-7-23-13/h2-7,9,11H,8H2,1H3,(H,18,22)(H,20,21)/t11-/m1/s1
InChIKeyIAWNNIUKBJIIJB-LLVKDONJSA-N
MW329.38 g/mol
LogP2.65
Rot. Bonds5

About (3R)-3-[(5-methylimidazo[1,2-a]pyridine-2-carbonyl)amino]-3-thiophen-2-ylpropanoic acid

(3R)-3-[(5-methylimidazo[1,2-a]pyridine-2-carbonyl)amino]-3-thiophen-2-ylpropanoic acid (PubChem CID 95572538) has the molecular formula C16H15N3O3S and a molecular weight of 329.38 g/mol. Its IUPAC name is (3R)-3-[(5-methylimidazo[1,2-a]pyridine-2-carbonyl)amino]-3-thiophen-2-ylpropanoic acid.

Molecular Properties

Compound Name(3R)-3-[(5-methylimidazo[1,2-a]pyridine-2-carbonyl)amino]-3-thiophen-2-ylpropanoic acid
PubChem CID95572538
Molecular FormulaC16H15N3O3S
Molecular Weight329.38 g/mol
Exact Mass329.08
IUPAC Name(3R)-3-[(5-methylimidazo[1,2-a]pyridine-2-carbonyl)amino]-3-thiophen-2-ylpropanoic acid
SMILESCc1cccc2nc(C(=O)N[C@H](CC(=O)O)c3cccs3)cn12
InChIInChI=1S/C16H15N3O3S/c1-10-4-2-6-14-17-12(9-19(10)14)16(22)18-11(8-15(20)21)13-5-3-7-23-13/h2-7,9,11H,8H2,1H3,(H,18,22)(H,20,21)/t11-/m1/s1
InChIKeyIAWNNIUKBJIIJB-LLVKDONJSA-N
XLogP2.65
TPSA83.70 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.38
LogP ≤ 52.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-[(7-methylimidazo[1,2-a]pyridine-2-carbonyl)amino]-3-thiophen-2-ylpropanoic acid
CID 71942406
N-(1,3-dihydroxypropan-2-yl)-5-methylimidazo[1,2-a]pyridine-2-carboxamide
CID 65314901
2-[(5-methylimidazo[1,2-a]pyridine-2-carbonyl)amino]thiophene-3-carboxylic acid
CID 43357240
3-hydroxy-2-[(5-methylimidazo[1,2-a]pyridine-2-carbonyl)amino]butanoic acid
CID 43353577
methyl 3-hydroxy-2-[(5-methylimidazo[1,2-a]pyridine-2-carbonyl)amino]propanoate
CID 43408753
6-[(5-methylimidazo[1,2-a]pyridine-2-carbonyl)amino]hexanoic acid
CID 39186729
3-[(2-amino-4-methyl-1,3-thiazole-5-carbonyl)amino]-3-thiophen-2-ylpropanoic acid
CID 62794621
2,2-dimethyl-3-[(5-methylimidazo[1,2-a]pyridine-2-carbonyl)amino]propanoic acid
CID 81368196
N-(5-hydroxypentyl)-5-methylimidazo[1,2-a]pyridine-2-carboxamide
CID 107319165
3-(1H-indole-7-carbonylamino)-3-thiophen-2-ylpropanoic acid
CID 75512233
3-[(2,6-dichloropyridine-3-carbonyl)amino]-3-thiophen-2-ylpropanoic acid
CID 106993309
N-[3-[[(2S)-butan-2-yl]amino]-3-oxopropyl]-5-methylimidazo[1,2-a]pyridine-2-carboxamide
CID 94800160

Frequently Asked Questions

What is the IUPAC name of (3R)-3-[(5-methylimidazo[1,2-a]pyridine-2-carbonyl)amino]-3-thiophen-2-ylpropanoic acid?
The IUPAC name of (3R)-3-[(5-methylimidazo[1,2-a]pyridine-2-carbonyl)amino]-3-thiophen-2-ylpropanoic acid (CID 95572538) is (3R)-3-[(5-methylimidazo[1,2-a]pyridine-2-carbonyl)amino]-3-thiophen-2-ylpropanoic acid.
What is the SMILES notation for (3R)-3-[(5-methylimidazo[1,2-a]pyridine-2-carbonyl)amino]-3-thiophen-2-ylpropanoic acid?
The canonical SMILES for (3R)-3-[(5-methylimidazo[1,2-a]pyridine-2-carbonyl)amino]-3-thiophen-2-ylpropanoic acid is Cc1cccc2nc(C(=O)N[C@H](CC(=O)O)c3cccs3)cn12.
What is the InChIKey of (3R)-3-[(5-methylimidazo[1,2-a]pyridine-2-carbonyl)amino]-3-thiophen-2-ylpropanoic acid?
The InChIKey is IAWNNIUKBJIIJB-LLVKDONJSA-N. The full InChI is InChI=1S/C16H15N3O3S/c1-10-4-2-6-14-17-12(9-19(10)14)16(22)18-11(8-15(20)21)13-5-3-7-23-13/h2-7,9,11H,8H2,1H3,(H,18,22)(H,20,21)/t11-/m1/s1.
What are the key properties of (3R)-3-[(5-methylimidazo[1,2-a]pyridine-2-carbonyl)amino]-3-thiophen-2-ylpropanoic acid?
(3R)-3-[(5-methylimidazo[1,2-a]pyridine-2-carbonyl)amino]-3-thiophen-2-ylpropanoic acid has a molecular weight of 329.38 g/mol, XLogP of 2.65, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-[(5-methylimidazo[1,2-a]pyridine-2-carbonyl)amino]-3-thiophen-2-ylpropanoic acid is sourced from PubChem (CID 95572538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).