tert-butyl N-[N'-hydroxy-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamimidoyl]carbamate

C11H21N3O5 — CID 136835773

IUPACtert-butyl N-[N'-hydroxy-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamimidoyl]carbamate
SMILESCC(C)(C)OC(=O)NC(=NO)NC(=O)OC(C)(C)C
InChIInChI=1S/C11H21N3O5/c1-10(2,3)18-8(15)12-7(14-17)13-9(16)19-11(4,5)6/h17H,1-6H3,(H2,12,13,14,15,16)
InChIKeyQSNBFQFYVMJWLQ-UHFFFAOYSA-N
MW275.31 g/mol
LogP1.78
Rot. Bonds

About tert-butyl N-[N'-hydroxy-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamimidoyl]carbamate

tert-butyl N-[N'-hydroxy-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamimidoyl]carbamate (PubChem CID 136835773) has the molecular formula C11H21N3O5 and a molecular weight of 275.31 g/mol. Its IUPAC name is tert-butyl N-[N'-hydroxy-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamimidoyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[N'-hydroxy-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamimidoyl]carbamate
PubChem CID136835773
Molecular FormulaC11H21N3O5
Molecular Weight275.31 g/mol
Exact Mass275.15
IUPAC Nametert-butyl N-[N'-hydroxy-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamimidoyl]carbamate
SMILESCC(C)(C)OC(=O)NC(=NO)NC(=O)OC(C)(C)C
InChIInChI=1S/C11H21N3O5/c1-10(2,3)18-8(15)12-7(14-17)13-9(16)19-11(4,5)6/h17H,1-6H3,(H2,12,13,14,15,16)
InChIKeyQSNBFQFYVMJWLQ-UHFFFAOYSA-N
XLogP1.78
TPSA109.25 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.31
LogP ≤ 51.78
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[N'-hydroxy-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamimidoyl]carbamate?
The IUPAC name of tert-butyl N-[N'-hydroxy-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamimidoyl]carbamate (CID 136835773) is tert-butyl N-[N'-hydroxy-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamimidoyl]carbamate.
What is the SMILES notation for tert-butyl N-[N'-hydroxy-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamimidoyl]carbamate?
The canonical SMILES for tert-butyl N-[N'-hydroxy-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamimidoyl]carbamate is CC(C)(C)OC(=O)NC(=NO)NC(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-[N'-hydroxy-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamimidoyl]carbamate?
The InChIKey is QSNBFQFYVMJWLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N3O5/c1-10(2,3)18-8(15)12-7(14-17)13-9(16)19-11(4,5)6/h17H,1-6H3,(H2,12,13,14,15,16).
What are the key properties of tert-butyl N-[N'-hydroxy-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamimidoyl]carbamate?
tert-butyl N-[N'-hydroxy-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamimidoyl]carbamate has a molecular weight of 275.31 g/mol, XLogP of 1.78, 0 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[N'-hydroxy-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamimidoyl]carbamate is sourced from PubChem (CID 136835773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).