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

C15H25N3O4 — CID 819122

IUPACtert-butyl 4-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]imidazole-1-carboxylate
SMILESCC(C)(C)OC(=O)NCCc1cn(C(=O)OC(C)(C)C)cn1
InChIInChI=1S/C15H25N3O4/c1-14(2,3)21-12(19)16-8-7-11-9-18(10-17-11)13(20)22-15(4,5)6/h9-10H,7-8H2,1-6H3,(H,16,19)
InChIKeyWWYWXHQAJQEAQJ-UHFFFAOYSA-N
MW311.38 g/mol
LogP2.73
Rot. Bonds3

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

tert-butyl 4-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]imidazole-1-carboxylate (PubChem CID 819122) has the molecular formula C15H25N3O4 and a molecular weight of 311.38 g/mol. Its IUPAC name is tert-butyl 4-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]imidazole-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]imidazole-1-carboxylate
PubChem CID819122
Molecular FormulaC15H25N3O4
Molecular Weight311.38 g/mol
Exact Mass311.18
IUPAC Nametert-butyl 4-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]imidazole-1-carboxylate
SMILESCC(C)(C)OC(=O)NCCc1cn(C(=O)OC(C)(C)C)cn1
InChIInChI=1S/C15H25N3O4/c1-14(2,3)21-12(19)16-8-7-11-9-18(10-17-11)13(20)22-15(4,5)6/h9-10H,7-8H2,1-6H3,(H,16,19)
InChIKeyWWYWXHQAJQEAQJ-UHFFFAOYSA-N
XLogP2.73
TPSA82.45 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.38
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

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CID 7019673
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tert-butyl N-[2-(1-formylpyrazol-3-yl)ethyl]carbamate
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tert-butyl N-[2-(6-aminoimidazo[1,2-a]pyridin-2-yl)ethyl]carbamate
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Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]imidazole-1-carboxylate?
The IUPAC name of tert-butyl 4-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]imidazole-1-carboxylate (CID 819122) is tert-butyl 4-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]imidazole-1-carboxylate.
What is the SMILES notation for tert-butyl 4-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]imidazole-1-carboxylate?
The canonical SMILES for tert-butyl 4-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]imidazole-1-carboxylate is CC(C)(C)OC(=O)NCCc1cn(C(=O)OC(C)(C)C)cn1.
What is the InChIKey of tert-butyl 4-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]imidazole-1-carboxylate?
The InChIKey is WWYWXHQAJQEAQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3O4/c1-14(2,3)21-12(19)16-8-7-11-9-18(10-17-11)13(20)22-15(4,5)6/h9-10H,7-8H2,1-6H3,(H,16,19).
What are the key properties of tert-butyl 4-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]imidazole-1-carboxylate?
tert-butyl 4-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]imidazole-1-carboxylate has a molecular weight of 311.38 g/mol, XLogP of 2.73, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]imidazole-1-carboxylate is sourced from PubChem (CID 819122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).