3-hydroxy-2-[(2-imidazo[1,2-a]pyridin-2-ylacetyl)amino]butanoic acid

C13H15N3O4 — CID 43353673

IUPAC3-hydroxy-2-[(2-imidazo[1,2-a]pyridin-2-ylacetyl)amino]butanoic acid
SMILESCC(O)C(NC(=O)Cc1cn2ccccc2n1)C(=O)O
InChIInChI=1S/C13H15N3O4/c1-8(17)12(13(19)20)15-11(18)6-9-7-16-5-3-2-4-10(16)14-9/h2-5,7-8,12,17H,6H2,1H3,(H,15,18)(H,19,20)
InChIKeyRYFBSNSAPQJIOA-UHFFFAOYSA-N
MW277.28 g/mol
LogP-0.17
Rot. Bonds5

About 3-hydroxy-2-[(2-imidazo[1,2-a]pyridin-2-ylacetyl)amino]butanoic acid

3-hydroxy-2-[(2-imidazo[1,2-a]pyridin-2-ylacetyl)amino]butanoic acid (PubChem CID 43353673) has the molecular formula C13H15N3O4 and a molecular weight of 277.28 g/mol. Its IUPAC name is 3-hydroxy-2-[(2-imidazo[1,2-a]pyridin-2-ylacetyl)amino]butanoic acid.

Molecular Properties

Compound Name3-hydroxy-2-[(2-imidazo[1,2-a]pyridin-2-ylacetyl)amino]butanoic acid
PubChem CID43353673
Molecular FormulaC13H15N3O4
Molecular Weight277.28 g/mol
Exact Mass277.11
IUPAC Name3-hydroxy-2-[(2-imidazo[1,2-a]pyridin-2-ylacetyl)amino]butanoic acid
SMILESCC(O)C(NC(=O)Cc1cn2ccccc2n1)C(=O)O
InChIInChI=1S/C13H15N3O4/c1-8(17)12(13(19)20)15-11(18)6-9-7-16-5-3-2-4-10(16)14-9/h2-5,7-8,12,17H,6H2,1H3,(H,15,18)(H,19,20)
InChIKeyRYFBSNSAPQJIOA-UHFFFAOYSA-N
XLogP-0.17
TPSA103.93 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.28
LogP ≤ 5-0.17
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

2-[(2-imidazo[1,2-a]pyridin-2-ylacetyl)amino]-3-methylbutanoic acid
CID 43353990
2-[(2-imidazo[1,2-a]pyridin-2-ylacetyl)amino]propanoic acid
CID 43355303
2-[(2-imidazo[1,2-a]pyridin-2-ylacetyl)amino]butanoic acid
CID 43469348
2-[(2-imidazo[1,2-a]pyridin-2-ylacetyl)amino]pentanoic acid
CID 43630447
(2S)-2-hydroxy-3-[(2-imidazo[1,2-a]pyridin-2-ylacetyl)amino]propanoic acid
CID 107833206
2-[[(2-imidazo[1,2-a]pyridin-2-ylacetyl)amino]methyl]-3-methylbutanoic acid
CID 65220306
(E)-2-[(2-imidazo[1,2-a]pyridin-2-ylacetyl)amino]hex-4-enoic acid
CID 120693374
N-(1-hydroxybutan-2-yl)-2-imidazo[1,2-a]pyridin-2-ylacetamide
CID 43417878
N-(2-imidazo[1,2-a]pyridin-2-ylethyl)-3-methyl-2-[(2-phenylacetyl)amino]butanamide
CID 55518882
2-[(2-imidazo[1,2-a]pyridin-2-ylacetyl)amino]acetic acid
CID 43170541
N-(1-hydroxy-4,4-dimethylpentan-3-yl)-2-imidazo[1,2-a]pyridin-2-ylacetamide
CID 103941094
3-hydroxy-2-[(2-pyridin-2-ylacetyl)amino]butanoic acid
CID 43151207

Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-2-[(2-imidazo[1,2-a]pyridin-2-ylacetyl)amino]butanoic acid?
The IUPAC name of 3-hydroxy-2-[(2-imidazo[1,2-a]pyridin-2-ylacetyl)amino]butanoic acid (CID 43353673) is 3-hydroxy-2-[(2-imidazo[1,2-a]pyridin-2-ylacetyl)amino]butanoic acid.
What is the SMILES notation for 3-hydroxy-2-[(2-imidazo[1,2-a]pyridin-2-ylacetyl)amino]butanoic acid?
The canonical SMILES for 3-hydroxy-2-[(2-imidazo[1,2-a]pyridin-2-ylacetyl)amino]butanoic acid is CC(O)C(NC(=O)Cc1cn2ccccc2n1)C(=O)O.
What is the InChIKey of 3-hydroxy-2-[(2-imidazo[1,2-a]pyridin-2-ylacetyl)amino]butanoic acid?
The InChIKey is RYFBSNSAPQJIOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O4/c1-8(17)12(13(19)20)15-11(18)6-9-7-16-5-3-2-4-10(16)14-9/h2-5,7-8,12,17H,6H2,1H3,(H,15,18)(H,19,20).
What are the key properties of 3-hydroxy-2-[(2-imidazo[1,2-a]pyridin-2-ylacetyl)amino]butanoic acid?
3-hydroxy-2-[(2-imidazo[1,2-a]pyridin-2-ylacetyl)amino]butanoic acid has a molecular weight of 277.28 g/mol, XLogP of -0.17, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-2-[(2-imidazo[1,2-a]pyridin-2-ylacetyl)amino]butanoic acid is sourced from PubChem (CID 43353673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).