(E)-2-[(2-imidazo[1,2-a]pyridin-2-ylacetyl)amino]hex-4-enoic acid

C15H17N3O3 — CID 120693374

IUPAC(E)-2-[(2-imidazo[1,2-a]pyridin-2-ylacetyl)amino]hex-4-enoic acid
SMILESC/C=C/CC(NC(=O)Cc1cn2ccccc2n1)C(=O)O
InChIInChI=1S/C15H17N3O3/c1-2-3-6-12(15(20)21)17-14(19)9-11-10-18-8-5-4-7-13(18)16-11/h2-5,7-8,10,12H,6,9H2,1H3,(H,17,19)(H,20,21)/b3-2+
InChIKeyDAYPRYJRSJIARK-NSCUHMNNSA-N
MW287.32 g/mol
LogP1.41
Rot. Bonds6

About (E)-2-[(2-imidazo[1,2-a]pyridin-2-ylacetyl)amino]hex-4-enoic acid

(E)-2-[(2-imidazo[1,2-a]pyridin-2-ylacetyl)amino]hex-4-enoic acid (PubChem CID 120693374) has the molecular formula C15H17N3O3 and a molecular weight of 287.32 g/mol. Its IUPAC name is (E)-2-[(2-imidazo[1,2-a]pyridin-2-ylacetyl)amino]hex-4-enoic acid.

Molecular Properties

Compound Name(E)-2-[(2-imidazo[1,2-a]pyridin-2-ylacetyl)amino]hex-4-enoic acid
PubChem CID120693374
Molecular FormulaC15H17N3O3
Molecular Weight287.32 g/mol
Exact Mass287.13
IUPAC Name(E)-2-[(2-imidazo[1,2-a]pyridin-2-ylacetyl)amino]hex-4-enoic acid
SMILESC/C=C/CC(NC(=O)Cc1cn2ccccc2n1)C(=O)O
InChIInChI=1S/C15H17N3O3/c1-2-3-6-12(15(20)21)17-14(19)9-11-10-18-8-5-4-7-13(18)16-11/h2-5,7-8,10,12H,6,9H2,1H3,(H,17,19)(H,20,21)/b3-2+
InChIKeyDAYPRYJRSJIARK-NSCUHMNNSA-N
XLogP1.41
TPSA83.70 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.32
LogP ≤ 51.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

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
2-[(2-imidazo[1,2-a]pyridin-2-ylacetyl)amino]propanoic acid
CID 43355303
2-[(2-imidazo[1,2-a]pyridin-2-ylacetyl)amino]-3-methylbutanoic acid
CID 43353990
3-hydroxy-2-[(2-imidazo[1,2-a]pyridin-2-ylacetyl)amino]butanoic acid
CID 43353673
N-(1-hydroxybutan-2-yl)-2-imidazo[1,2-a]pyridin-2-ylacetamide
CID 43417878
(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
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
(E)-2-[[2-(2-fluorophenyl)acetyl]amino]hex-4-enoic acid
CID 120693171
N-(1-aminohexan-2-yl)-2-imidazo[1,2-a]pyridin-2-ylacetamide
CID 119664981

Frequently Asked Questions

What is the IUPAC name of (E)-2-[(2-imidazo[1,2-a]pyridin-2-ylacetyl)amino]hex-4-enoic acid?
The IUPAC name of (E)-2-[(2-imidazo[1,2-a]pyridin-2-ylacetyl)amino]hex-4-enoic acid (CID 120693374) is (E)-2-[(2-imidazo[1,2-a]pyridin-2-ylacetyl)amino]hex-4-enoic acid.
What is the SMILES notation for (E)-2-[(2-imidazo[1,2-a]pyridin-2-ylacetyl)amino]hex-4-enoic acid?
The canonical SMILES for (E)-2-[(2-imidazo[1,2-a]pyridin-2-ylacetyl)amino]hex-4-enoic acid is C/C=C/CC(NC(=O)Cc1cn2ccccc2n1)C(=O)O.
What is the InChIKey of (E)-2-[(2-imidazo[1,2-a]pyridin-2-ylacetyl)amino]hex-4-enoic acid?
The InChIKey is DAYPRYJRSJIARK-NSCUHMNNSA-N. The full InChI is InChI=1S/C15H17N3O3/c1-2-3-6-12(15(20)21)17-14(19)9-11-10-18-8-5-4-7-13(18)16-11/h2-5,7-8,10,12H,6,9H2,1H3,(H,17,19)(H,20,21)/b3-2+.
What are the key properties of (E)-2-[(2-imidazo[1,2-a]pyridin-2-ylacetyl)amino]hex-4-enoic acid?
(E)-2-[(2-imidazo[1,2-a]pyridin-2-ylacetyl)amino]hex-4-enoic acid has a molecular weight of 287.32 g/mol, XLogP of 1.41, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-2-[(2-imidazo[1,2-a]pyridin-2-ylacetyl)amino]hex-4-enoic acid is sourced from PubChem (CID 120693374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).