tert-butyl 2-cyclopropyl-5-[[2-fluoroethyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]methyl]imidazole-1-carboxylate

C19H30FN3O4 — CID 139571105

IUPACtert-butyl 2-cyclopropyl-5-[[2-fluoroethyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]methyl]imidazole-1-carboxylate
SMILESCC(C)(C)OC(=O)N(CCF)Cc1cnc(C2CC2)n1C(=O)OC(C)(C)C
InChIInChI=1S/C19H30FN3O4/c1-18(2,3)26-16(24)22(10-9-20)12-14-11-21-15(13-7-8-13)23(14)17(25)27-19(4,5)6/h11,13H,7-10,12H2,1-6H3
InChIKeyVCVHPYZTTVPXPO-UHFFFAOYSA-N
MW383.46 g/mol
LogP4.25
Rot. Bonds5

About tert-butyl 2-cyclopropyl-5-[[2-fluoroethyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]methyl]imidazole-1-carboxylate

tert-butyl 2-cyclopropyl-5-[[2-fluoroethyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]methyl]imidazole-1-carboxylate (PubChem CID 139571105) has the molecular formula C19H30FN3O4 and a molecular weight of 383.46 g/mol. Its IUPAC name is tert-butyl 2-cyclopropyl-5-[[2-fluoroethyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]methyl]imidazole-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 2-cyclopropyl-5-[[2-fluoroethyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]methyl]imidazole-1-carboxylate
PubChem CID139571105
Molecular FormulaC19H30FN3O4
Molecular Weight383.46 g/mol
Exact Mass383.22
IUPAC Nametert-butyl 2-cyclopropyl-5-[[2-fluoroethyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]methyl]imidazole-1-carboxylate
SMILESCC(C)(C)OC(=O)N(CCF)Cc1cnc(C2CC2)n1C(=O)OC(C)(C)C
InChIInChI=1S/C19H30FN3O4/c1-18(2,3)26-16(24)22(10-9-20)12-14-11-21-15(13-7-8-13)23(14)17(25)27-19(4,5)6/h11,13H,7-10,12H2,1-6H3
InChIKeyVCVHPYZTTVPXPO-UHFFFAOYSA-N
XLogP4.25
TPSA73.66 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.46
LogP ≤ 54.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of tert-butyl 2-cyclopropyl-5-[[2-fluoroethyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]methyl]imidazole-1-carboxylate?
The IUPAC name of tert-butyl 2-cyclopropyl-5-[[2-fluoroethyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]methyl]imidazole-1-carboxylate (CID 139571105) is tert-butyl 2-cyclopropyl-5-[[2-fluoroethyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]methyl]imidazole-1-carboxylate.
What is the SMILES notation for tert-butyl 2-cyclopropyl-5-[[2-fluoroethyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]methyl]imidazole-1-carboxylate?
The canonical SMILES for tert-butyl 2-cyclopropyl-5-[[2-fluoroethyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]methyl]imidazole-1-carboxylate is CC(C)(C)OC(=O)N(CCF)Cc1cnc(C2CC2)n1C(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl 2-cyclopropyl-5-[[2-fluoroethyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]methyl]imidazole-1-carboxylate?
The InChIKey is VCVHPYZTTVPXPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30FN3O4/c1-18(2,3)26-16(24)22(10-9-20)12-14-11-21-15(13-7-8-13)23(14)17(25)27-19(4,5)6/h11,13H,7-10,12H2,1-6H3.
What are the key properties of tert-butyl 2-cyclopropyl-5-[[2-fluoroethyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]methyl]imidazole-1-carboxylate?
tert-butyl 2-cyclopropyl-5-[[2-fluoroethyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]methyl]imidazole-1-carboxylate has a molecular weight of 383.46 g/mol, XLogP of 4.25, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 2-cyclopropyl-5-[[2-fluoroethyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]methyl]imidazole-1-carboxylate is sourced from PubChem (CID 139571105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).