tert-butyl 3-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]cyclobutane-1-carboxylate

C15H27NO4 — CID 175940322

IUPACtert-butyl 3-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]cyclobutane-1-carboxylate
SMILESCN(C(=O)OC(C)(C)C)C1CC(C(=O)OC(C)(C)C)C1
InChIInChI=1S/C15H27NO4/c1-14(2,3)19-12(17)10-8-11(9-10)16(7)13(18)20-15(4,5)6/h10-11H,8-9H2,1-7H3
InChIKeyLULUHCLJOWCLOG-UHFFFAOYSA-N
MW285.38 g/mol
LogP2.97
Rot. Bonds2

About tert-butyl 3-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]cyclobutane-1-carboxylate

tert-butyl 3-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]cyclobutane-1-carboxylate (PubChem CID 175940322) has the molecular formula C15H27NO4 and a molecular weight of 285.38 g/mol. Its IUPAC name is tert-butyl 3-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]cyclobutane-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 3-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]cyclobutane-1-carboxylate
PubChem CID175940322
Molecular FormulaC15H27NO4
Molecular Weight285.38 g/mol
Exact Mass285.19
IUPAC Nametert-butyl 3-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]cyclobutane-1-carboxylate
SMILESCN(C(=O)OC(C)(C)C)C1CC(C(=O)OC(C)(C)C)C1
InChIInChI=1S/C15H27NO4/c1-14(2,3)19-12(17)10-8-11(9-10)16(7)13(18)20-15(4,5)6/h10-11H,8-9H2,1-7H3
InChIKeyLULUHCLJOWCLOG-UHFFFAOYSA-N
XLogP2.97
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.38
LogP ≤ 52.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

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3,5-bis[(2-methylpropan-2-yl)oxycarbonyl]cyclohexane-1-carboxylic acid
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tert-butyl N-methyl-N-[(1S,6R)-7-oxabicyclo[4.1.0]heptan-3-yl]carbamate
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tert-butyl thiane-4-carboxylate
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CID 168800648

Frequently Asked Questions

What is the IUPAC name of tert-butyl 3-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]cyclobutane-1-carboxylate?
The IUPAC name of tert-butyl 3-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]cyclobutane-1-carboxylate (CID 175940322) is tert-butyl 3-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]cyclobutane-1-carboxylate.
What is the SMILES notation for tert-butyl 3-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]cyclobutane-1-carboxylate?
The canonical SMILES for tert-butyl 3-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]cyclobutane-1-carboxylate is CN(C(=O)OC(C)(C)C)C1CC(C(=O)OC(C)(C)C)C1.
What is the InChIKey of tert-butyl 3-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]cyclobutane-1-carboxylate?
The InChIKey is LULUHCLJOWCLOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27NO4/c1-14(2,3)19-12(17)10-8-11(9-10)16(7)13(18)20-15(4,5)6/h10-11H,8-9H2,1-7H3.
What are the key properties of tert-butyl 3-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]cyclobutane-1-carboxylate?
tert-butyl 3-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]cyclobutane-1-carboxylate has a molecular weight of 285.38 g/mol, XLogP of 2.97, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 3-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]cyclobutane-1-carboxylate is sourced from PubChem (CID 175940322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).