tert-butyl 2-[4-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]imidazol-1-yl]acetate

C15H25N3O4 — CID 156683702

IUPACtert-butyl 2-[4-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]imidazol-1-yl]acetate
SMILESCC(C)(C)OC(=O)Cn1cnc(CNC(=O)OC(C)(C)C)c1
InChIInChI=1S/C15H25N3O4/c1-14(2,3)21-12(19)9-18-8-11(17-10-18)7-16-13(20)22-15(4,5)6/h8,10H,7,9H2,1-6H3,(H,16,20)
InChIKeyKAUPYVNGTQFZDH-UHFFFAOYSA-N
MW311.38 g/mol
LogP2.25
Rot. Bonds4

About tert-butyl 2-[4-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]imidazol-1-yl]acetate

tert-butyl 2-[4-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]imidazol-1-yl]acetate (PubChem CID 156683702) has the molecular formula C15H25N3O4 and a molecular weight of 311.38 g/mol. Its IUPAC name is tert-butyl 2-[4-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]imidazol-1-yl]acetate.

Molecular Properties

Compound Nametert-butyl 2-[4-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]imidazol-1-yl]acetate
PubChem CID156683702
Molecular FormulaC15H25N3O4
Molecular Weight311.38 g/mol
Exact Mass311.18
IUPAC Nametert-butyl 2-[4-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]imidazol-1-yl]acetate
SMILESCC(C)(C)OC(=O)Cn1cnc(CNC(=O)OC(C)(C)C)c1
InChIInChI=1S/C15H25N3O4/c1-14(2,3)21-12(19)9-18-8-11(17-10-18)7-16-13(20)22-15(4,5)6/h8,10H,7,9H2,1-6H3,(H,16,20)
InChIKeyKAUPYVNGTQFZDH-UHFFFAOYSA-N
XLogP2.25
TPSA82.45 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.38
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of tert-butyl 2-[4-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]imidazol-1-yl]acetate?
The IUPAC name of tert-butyl 2-[4-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]imidazol-1-yl]acetate (CID 156683702) is tert-butyl 2-[4-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]imidazol-1-yl]acetate.
What is the SMILES notation for tert-butyl 2-[4-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]imidazol-1-yl]acetate?
The canonical SMILES for tert-butyl 2-[4-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]imidazol-1-yl]acetate is CC(C)(C)OC(=O)Cn1cnc(CNC(=O)OC(C)(C)C)c1.
What is the InChIKey of tert-butyl 2-[4-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]imidazol-1-yl]acetate?
The InChIKey is KAUPYVNGTQFZDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3O4/c1-14(2,3)21-12(19)9-18-8-11(17-10-18)7-16-13(20)22-15(4,5)6/h8,10H,7,9H2,1-6H3,(H,16,20).
What are the key properties of tert-butyl 2-[4-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]imidazol-1-yl]acetate?
tert-butyl 2-[4-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]imidazol-1-yl]acetate has a molecular weight of 311.38 g/mol, XLogP of 2.25, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 2-[4-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]imidazol-1-yl]acetate is sourced from PubChem (CID 156683702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).