3-[(3-nitroimidazo[1,2-a]pyridin-2-yl)methylamino]propanoic acid

C11H12N4O4 — CID 43466370

IUPAC3-[(3-nitroimidazo[1,2-a]pyridin-2-yl)methylamino]propanoic acid
SMILESO=C(O)CCNCc1nc2ccccn2c1[N+](=O)[O-]
InChIInChI=1S/C11H12N4O4/c16-10(17)4-5-12-7-8-11(15(18)19)14-6-2-1-3-9(14)13-8/h1-3,6,12H,4-5,7H2,(H,16,17)
InChIKeyZCRXBTLPRNZYCS-UHFFFAOYSA-N
MW264.24 g/mol
LogP0.81
Rot. Bonds6

About 3-[(3-nitroimidazo[1,2-a]pyridin-2-yl)methylamino]propanoic acid

3-[(3-nitroimidazo[1,2-a]pyridin-2-yl)methylamino]propanoic acid (PubChem CID 43466370) has the molecular formula C11H12N4O4 and a molecular weight of 264.24 g/mol. Its IUPAC name is 3-[(3-nitroimidazo[1,2-a]pyridin-2-yl)methylamino]propanoic acid.

Molecular Properties

Compound Name3-[(3-nitroimidazo[1,2-a]pyridin-2-yl)methylamino]propanoic acid
PubChem CID43466370
Molecular FormulaC11H12N4O4
Molecular Weight264.24 g/mol
Exact Mass264.09
IUPAC Name3-[(3-nitroimidazo[1,2-a]pyridin-2-yl)methylamino]propanoic acid
SMILESO=C(O)CCNCc1nc2ccccn2c1[N+](=O)[O-]
InChIInChI=1S/C11H12N4O4/c16-10(17)4-5-12-7-8-11(15(18)19)14-6-2-1-3-9(14)13-8/h1-3,6,12H,4-5,7H2,(H,16,17)
InChIKeyZCRXBTLPRNZYCS-UHFFFAOYSA-N
XLogP0.81
TPSA109.77 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.24
LogP ≤ 50.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-[(3-nitroimidazo[1,2-a]pyridin-2-yl)methylamino]propanoic acid?
The IUPAC name of 3-[(3-nitroimidazo[1,2-a]pyridin-2-yl)methylamino]propanoic acid (CID 43466370) is 3-[(3-nitroimidazo[1,2-a]pyridin-2-yl)methylamino]propanoic acid.
What is the SMILES notation for 3-[(3-nitroimidazo[1,2-a]pyridin-2-yl)methylamino]propanoic acid?
The canonical SMILES for 3-[(3-nitroimidazo[1,2-a]pyridin-2-yl)methylamino]propanoic acid is O=C(O)CCNCc1nc2ccccn2c1[N+](=O)[O-].
What is the InChIKey of 3-[(3-nitroimidazo[1,2-a]pyridin-2-yl)methylamino]propanoic acid?
The InChIKey is ZCRXBTLPRNZYCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N4O4/c16-10(17)4-5-12-7-8-11(15(18)19)14-6-2-1-3-9(14)13-8/h1-3,6,12H,4-5,7H2,(H,16,17).
What are the key properties of 3-[(3-nitroimidazo[1,2-a]pyridin-2-yl)methylamino]propanoic acid?
3-[(3-nitroimidazo[1,2-a]pyridin-2-yl)methylamino]propanoic acid has a molecular weight of 264.24 g/mol, XLogP of 0.81, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-nitroimidazo[1,2-a]pyridin-2-yl)methylamino]propanoic acid is sourced from PubChem (CID 43466370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).