tert-butyl 2-methyl-4-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]imidazole-1-carboxylate

C15H25N3O4 — CID 156683684

IUPACtert-butyl 2-methyl-4-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]imidazole-1-carboxylate
SMILESCc1nc(CNC(=O)OC(C)(C)C)cn1C(=O)OC(C)(C)C
InChIInChI=1S/C15H25N3O4/c1-10-17-11(8-16-12(19)21-14(2,3)4)9-18(10)13(20)22-15(5,6)7/h9H,8H2,1-7H3,(H,16,19)
InChIKeyRVPXXUVGHKSJMX-UHFFFAOYSA-N
MW311.38 g/mol
LogP3.00
Rot. Bonds2

About tert-butyl 2-methyl-4-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]imidazole-1-carboxylate

tert-butyl 2-methyl-4-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]imidazole-1-carboxylate (PubChem CID 156683684) has the molecular formula C15H25N3O4 and a molecular weight of 311.38 g/mol. Its IUPAC name is tert-butyl 2-methyl-4-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]imidazole-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 2-methyl-4-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]imidazole-1-carboxylate
PubChem CID156683684
Molecular FormulaC15H25N3O4
Molecular Weight311.38 g/mol
Exact Mass311.18
IUPAC Nametert-butyl 2-methyl-4-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]imidazole-1-carboxylate
SMILESCc1nc(CNC(=O)OC(C)(C)C)cn1C(=O)OC(C)(C)C
InChIInChI=1S/C15H25N3O4/c1-10-17-11(8-16-12(19)21-14(2,3)4)9-18(10)13(20)22-15(5,6)7/h9H,8H2,1-7H3,(H,16,19)
InChIKeyRVPXXUVGHKSJMX-UHFFFAOYSA-N
XLogP3.00
TPSA82.45 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.38
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of tert-butyl 2-methyl-4-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]imidazole-1-carboxylate?
The IUPAC name of tert-butyl 2-methyl-4-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]imidazole-1-carboxylate (CID 156683684) is tert-butyl 2-methyl-4-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]imidazole-1-carboxylate.
What is the SMILES notation for tert-butyl 2-methyl-4-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]imidazole-1-carboxylate?
The canonical SMILES for tert-butyl 2-methyl-4-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]imidazole-1-carboxylate is Cc1nc(CNC(=O)OC(C)(C)C)cn1C(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl 2-methyl-4-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]imidazole-1-carboxylate?
The InChIKey is RVPXXUVGHKSJMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3O4/c1-10-17-11(8-16-12(19)21-14(2,3)4)9-18(10)13(20)22-15(5,6)7/h9H,8H2,1-7H3,(H,16,19).
What are the key properties of tert-butyl 2-methyl-4-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]imidazole-1-carboxylate?
tert-butyl 2-methyl-4-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]imidazole-1-carboxylate has a molecular weight of 311.38 g/mol, XLogP of 3.00, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 2-methyl-4-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]imidazole-1-carboxylate is sourced from PubChem (CID 156683684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).