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

C17H23N3O4 — CID 134973559

IUPAC3-methyl-3-[3-[(2-methylpropan-2-yl)oxycarbonylamino]imidazo[1,2-a]pyridin-2-yl]butanoic acid
SMILESCC(C)(C)OC(=O)Nc1c(C(C)(C)CC(=O)O)nc2ccccn12
InChIInChI=1S/C17H23N3O4/c1-16(2,3)24-15(23)19-14-13(17(4,5)10-12(21)22)18-11-8-6-7-9-20(11)14/h6-9H,10H2,1-5H3,(H,19,23)(H,21,22)
InChIKeyFXDPNHITMADIFI-UHFFFAOYSA-N
MW333.39 g/mol
LogP3.43
Rot. Bonds4

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

3-methyl-3-[3-[(2-methylpropan-2-yl)oxycarbonylamino]imidazo[1,2-a]pyridin-2-yl]butanoic acid (PubChem CID 134973559) has the molecular formula C17H23N3O4 and a molecular weight of 333.39 g/mol. Its IUPAC name is 3-methyl-3-[3-[(2-methylpropan-2-yl)oxycarbonylamino]imidazo[1,2-a]pyridin-2-yl]butanoic acid.

Molecular Properties

Compound Name3-methyl-3-[3-[(2-methylpropan-2-yl)oxycarbonylamino]imidazo[1,2-a]pyridin-2-yl]butanoic acid
PubChem CID134973559
Molecular FormulaC17H23N3O4
Molecular Weight333.39 g/mol
Exact Mass333.17
IUPAC Name3-methyl-3-[3-[(2-methylpropan-2-yl)oxycarbonylamino]imidazo[1,2-a]pyridin-2-yl]butanoic acid
SMILESCC(C)(C)OC(=O)Nc1c(C(C)(C)CC(=O)O)nc2ccccn12
InChIInChI=1S/C17H23N3O4/c1-16(2,3)24-15(23)19-14-13(17(4,5)10-12(21)22)18-11-8-6-7-9-20(11)14/h6-9H,10H2,1-5H3,(H,19,23)(H,21,22)
InChIKeyFXDPNHITMADIFI-UHFFFAOYSA-N
XLogP3.43
TPSA92.93 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.39
LogP ≤ 53.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-3-[3-[(2-methylpropan-2-yl)oxycarbonylamino]imidazo[1,2-a]pyridin-2-yl]butanoic acid?
The IUPAC name of 3-methyl-3-[3-[(2-methylpropan-2-yl)oxycarbonylamino]imidazo[1,2-a]pyridin-2-yl]butanoic acid (CID 134973559) is 3-methyl-3-[3-[(2-methylpropan-2-yl)oxycarbonylamino]imidazo[1,2-a]pyridin-2-yl]butanoic acid.
What is the SMILES notation for 3-methyl-3-[3-[(2-methylpropan-2-yl)oxycarbonylamino]imidazo[1,2-a]pyridin-2-yl]butanoic acid?
The canonical SMILES for 3-methyl-3-[3-[(2-methylpropan-2-yl)oxycarbonylamino]imidazo[1,2-a]pyridin-2-yl]butanoic acid is CC(C)(C)OC(=O)Nc1c(C(C)(C)CC(=O)O)nc2ccccn12.
What is the InChIKey of 3-methyl-3-[3-[(2-methylpropan-2-yl)oxycarbonylamino]imidazo[1,2-a]pyridin-2-yl]butanoic acid?
The InChIKey is FXDPNHITMADIFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O4/c1-16(2,3)24-15(23)19-14-13(17(4,5)10-12(21)22)18-11-8-6-7-9-20(11)14/h6-9H,10H2,1-5H3,(H,19,23)(H,21,22).
What are the key properties of 3-methyl-3-[3-[(2-methylpropan-2-yl)oxycarbonylamino]imidazo[1,2-a]pyridin-2-yl]butanoic acid?
3-methyl-3-[3-[(2-methylpropan-2-yl)oxycarbonylamino]imidazo[1,2-a]pyridin-2-yl]butanoic acid has a molecular weight of 333.39 g/mol, XLogP of 3.43, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-3-[3-[(2-methylpropan-2-yl)oxycarbonylamino]imidazo[1,2-a]pyridin-2-yl]butanoic acid is sourced from PubChem (CID 134973559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).