tert-butyl N-[1-[(Z)-N'-hydroxycarbamimidoyl]cyclobutyl]carbamate

C10H19N3O3 — CID 50986462

IUPACtert-butyl N-[1-[(Z)-N'-hydroxycarbamimidoyl]cyclobutyl]carbamate
SMILESCC(C)(C)OC(=O)NC1(/C(N)=N/O)CCC1
InChIInChI=1S/C10H19N3O3/c1-9(2,3)16-8(14)12-10(5-4-6-10)7(11)13-15/h15H,4-6H2,1-3H3,(H2,11,13)(H,12,14)
InChIKeyNJCTYVNAPFQCMS-UHFFFAOYSA-N
MW229.28 g/mol
LogP1.18
Rot. Bonds2

About tert-butyl N-[1-[(Z)-N'-hydroxycarbamimidoyl]cyclobutyl]carbamate

tert-butyl N-[1-[(Z)-N'-hydroxycarbamimidoyl]cyclobutyl]carbamate (PubChem CID 50986462) has the molecular formula C10H19N3O3 and a molecular weight of 229.28 g/mol. Its IUPAC name is tert-butyl N-[1-[(Z)-N'-hydroxycarbamimidoyl]cyclobutyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[1-[(Z)-N'-hydroxycarbamimidoyl]cyclobutyl]carbamate
PubChem CID50986462
Molecular FormulaC10H19N3O3
Molecular Weight229.28 g/mol
Exact Mass229.14
IUPAC Nametert-butyl N-[1-[(Z)-N'-hydroxycarbamimidoyl]cyclobutyl]carbamate
SMILESCC(C)(C)OC(=O)NC1(/C(N)=N/O)CCC1
InChIInChI=1S/C10H19N3O3/c1-9(2,3)16-8(14)12-10(5-4-6-10)7(11)13-15/h15H,4-6H2,1-3H3,(H2,11,13)(H,12,14)
InChIKeyNJCTYVNAPFQCMS-UHFFFAOYSA-N
XLogP1.18
TPSA96.94 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.28
LogP ≤ 51.18
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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-[1-[(Z)-N'-hydroxycarbamimidoyl]cyclobutyl]carbamate?
The IUPAC name of tert-butyl N-[1-[(Z)-N'-hydroxycarbamimidoyl]cyclobutyl]carbamate (CID 50986462) is tert-butyl N-[1-[(Z)-N'-hydroxycarbamimidoyl]cyclobutyl]carbamate.
What is the SMILES notation for tert-butyl N-[1-[(Z)-N'-hydroxycarbamimidoyl]cyclobutyl]carbamate?
The canonical SMILES for tert-butyl N-[1-[(Z)-N'-hydroxycarbamimidoyl]cyclobutyl]carbamate is CC(C)(C)OC(=O)NC1(/C(N)=N/O)CCC1.
What is the InChIKey of tert-butyl N-[1-[(Z)-N'-hydroxycarbamimidoyl]cyclobutyl]carbamate?
The InChIKey is NJCTYVNAPFQCMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N3O3/c1-9(2,3)16-8(14)12-10(5-4-6-10)7(11)13-15/h15H,4-6H2,1-3H3,(H2,11,13)(H,12,14).
What are the key properties of tert-butyl N-[1-[(Z)-N'-hydroxycarbamimidoyl]cyclobutyl]carbamate?
tert-butyl N-[1-[(Z)-N'-hydroxycarbamimidoyl]cyclobutyl]carbamate has a molecular weight of 229.28 g/mol, XLogP of 1.18, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[1-[(Z)-N'-hydroxycarbamimidoyl]cyclobutyl]carbamate is sourced from PubChem (CID 50986462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).