3-imidazo[1,2-a]pyridin-3-yl-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid

C15H19N3O4 — CID 170881727

IUPAC3-imidazo[1,2-a]pyridin-3-yl-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid
SMILESCC(C)(C)OC(=O)NC(Cc1cnc2ccccn12)C(=O)O
InChIInChI=1S/C15H19N3O4/c1-15(2,3)22-14(21)17-11(13(19)20)8-10-9-16-12-6-4-5-7-18(10)12/h4-7,9,11H,8H2,1-3H3,(H,17,21)(H,19,20)
InChIKeyMTTBOOZCRBOHBJ-UHFFFAOYSA-N
MW305.33 g/mol
LogP1.85
Rot. Bonds4

About 3-imidazo[1,2-a]pyridin-3-yl-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid

3-imidazo[1,2-a]pyridin-3-yl-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid (PubChem CID 170881727) has the molecular formula C15H19N3O4 and a molecular weight of 305.33 g/mol. Its IUPAC name is 3-imidazo[1,2-a]pyridin-3-yl-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid.

Molecular Properties

Compound Name3-imidazo[1,2-a]pyridin-3-yl-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid
PubChem CID170881727
Molecular FormulaC15H19N3O4
Molecular Weight305.33 g/mol
Exact Mass305.14
IUPAC Name3-imidazo[1,2-a]pyridin-3-yl-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid
SMILESCC(C)(C)OC(=O)NC(Cc1cnc2ccccn12)C(=O)O
InChIInChI=1S/C15H19N3O4/c1-15(2,3)22-14(21)17-11(13(19)20)8-10-9-16-12-6-4-5-7-18(10)12/h4-7,9,11H,8H2,1-3H3,(H,17,21)(H,19,20)
InChIKeyMTTBOOZCRBOHBJ-UHFFFAOYSA-N
XLogP1.85
TPSA92.93 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.33
LogP ≤ 51.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-imidazo[1,2-a]pyridin-3-yl-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid?
The IUPAC name of 3-imidazo[1,2-a]pyridin-3-yl-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid (CID 170881727) is 3-imidazo[1,2-a]pyridin-3-yl-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid.
What is the SMILES notation for 3-imidazo[1,2-a]pyridin-3-yl-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid?
The canonical SMILES for 3-imidazo[1,2-a]pyridin-3-yl-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid is CC(C)(C)OC(=O)NC(Cc1cnc2ccccn12)C(=O)O.
What is the InChIKey of 3-imidazo[1,2-a]pyridin-3-yl-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid?
The InChIKey is MTTBOOZCRBOHBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O4/c1-15(2,3)22-14(21)17-11(13(19)20)8-10-9-16-12-6-4-5-7-18(10)12/h4-7,9,11H,8H2,1-3H3,(H,17,21)(H,19,20).
What are the key properties of 3-imidazo[1,2-a]pyridin-3-yl-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid?
3-imidazo[1,2-a]pyridin-3-yl-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid has a molecular weight of 305.33 g/mol, XLogP of 1.85, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-imidazo[1,2-a]pyridin-3-yl-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid is sourced from PubChem (CID 170881727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).