tert-butyl N-carbamoyl-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate

C11H20N2O5 — CID 135140582

IUPACtert-butyl N-carbamoyl-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate
SMILESCC(C)(C)OC(=O)N(C(N)=O)C(=O)OC(C)(C)C
InChIInChI=1S/C11H20N2O5/c1-10(2,3)17-8(15)13(7(12)14)9(16)18-11(4,5)6/h1-6H3,(H2,12,14)
InChIKeyRUDXNALMPUXCJY-UHFFFAOYSA-N
MW260.29 g/mol
LogP2.24
Rot. Bonds

About tert-butyl N-carbamoyl-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate

tert-butyl N-carbamoyl-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate (PubChem CID 135140582) has the molecular formula C11H20N2O5 and a molecular weight of 260.29 g/mol. Its IUPAC name is tert-butyl N-carbamoyl-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-carbamoyl-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate
PubChem CID135140582
Molecular FormulaC11H20N2O5
Molecular Weight260.29 g/mol
Exact Mass260.14
IUPAC Nametert-butyl N-carbamoyl-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate
SMILESCC(C)(C)OC(=O)N(C(N)=O)C(=O)OC(C)(C)C
InChIInChI=1S/C11H20N2O5/c1-10(2,3)17-8(15)13(7(12)14)9(16)18-11(4,5)6/h1-6H3,(H2,12,14)
InChIKeyRUDXNALMPUXCJY-UHFFFAOYSA-N
XLogP2.24
TPSA98.93 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.29
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

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CID 87809677
tert-butyl N-(2-amino-2-oxoethyl)-N-(2-methoxyethyl)carbamate
CID 130748777
tert-butyl N-[(2-methylpropan-2-yl)oxycarbonyl]-N-(3-oxoprop-1-en-2-yl)carbamate
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CID 176888665

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-carbamoyl-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate?
The IUPAC name of tert-butyl N-carbamoyl-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate (CID 135140582) is tert-butyl N-carbamoyl-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate.
What is the SMILES notation for tert-butyl N-carbamoyl-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate?
The canonical SMILES for tert-butyl N-carbamoyl-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate is CC(C)(C)OC(=O)N(C(N)=O)C(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-carbamoyl-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate?
The InChIKey is RUDXNALMPUXCJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O5/c1-10(2,3)17-8(15)13(7(12)14)9(16)18-11(4,5)6/h1-6H3,(H2,12,14).
What are the key properties of tert-butyl N-carbamoyl-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate?
tert-butyl N-carbamoyl-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate has a molecular weight of 260.29 g/mol, XLogP of 2.24, 0 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-carbamoyl-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate is sourced from PubChem (CID 135140582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).