tert-butyl N-(1-amino-1-hydroxyimino-3,3-dimethylbutan-2-yl)carbamate

C11H23N3O3 — CID 131150544

IUPACtert-butyl N-(1-amino-1-hydroxyimino-3,3-dimethylbutan-2-yl)carbamate
SMILESCC(C)(C)OC(=O)NC(C(N)=NO)C(C)(C)C
InChIInChI=1S/C11H23N3O3/c1-10(2,3)7(8(12)14-16)13-9(15)17-11(4,5)6/h7,16H,1-6H3,(H2,12,14)(H,13,15)
InChIKeyWOPQIMXXWQFZIE-UHFFFAOYSA-N
MW245.32 g/mol
LogP1.67
Rot. Bonds2

About tert-butyl N-(1-amino-1-hydroxyimino-3,3-dimethylbutan-2-yl)carbamate

tert-butyl N-(1-amino-1-hydroxyimino-3,3-dimethylbutan-2-yl)carbamate (PubChem CID 131150544) has the molecular formula C11H23N3O3 and a molecular weight of 245.32 g/mol. Its IUPAC name is tert-butyl N-(1-amino-1-hydroxyimino-3,3-dimethylbutan-2-yl)carbamate.

Molecular Properties

Compound Nametert-butyl N-(1-amino-1-hydroxyimino-3,3-dimethylbutan-2-yl)carbamate
PubChem CID131150544
Molecular FormulaC11H23N3O3
Molecular Weight245.32 g/mol
Exact Mass245.17
IUPAC Nametert-butyl N-(1-amino-1-hydroxyimino-3,3-dimethylbutan-2-yl)carbamate
SMILESCC(C)(C)OC(=O)NC(C(N)=NO)C(C)(C)C
InChIInChI=1S/C11H23N3O3/c1-10(2,3)7(8(12)14-16)13-9(15)17-11(4,5)6/h7,16H,1-6H3,(H2,12,14)(H,13,15)
InChIKeyWOPQIMXXWQFZIE-UHFFFAOYSA-N
XLogP1.67
TPSA96.94 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.32
LogP ≤ 51.67
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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Related Compounds

tert-butyl N-[1-(N'-hydroxycarbamimidoyl)-2-methylpropyl]carbamate
CID 54592517
tert-butyl N-[2-(N'-hydroxycarbamimidoyl)ethyl]carbamate
CID 56760824
tert-butyl N-[3-(N-hydroxycarbamimidoyl)cyclobutyl]carbamate
CID 137965621
tert-butyl N-(1-(N'-hydroxycarbamimidoyl)propan-2-yl)carbamate
CID 54592564
acetic acid; tert-butyl N-(1-carbamimidoyl-2-methylpropyl)carbamate
CID 137965767
Tert-butyl n-(1-carbamimidoyl-2,2-dimethylpropyl)carbamate
CID 61429987
t-Butyl (1-amino-1-iminobutan-2-yl)-carbamate
CID 61428163
t-Butyl {1-[(acetoxy)imino]-1-aminobutan-2-yl}-carbamate
CID 154824352
t-Butyl {1-[(acetoxy)imino]-1-amino-3,3-dimethylbutan-2-yl}carbamate
CID 154824368
tert-Butyl N-(1-carbamimidoylethyl)carbamate
CID 61428355
tert-butyl N-[(2S)-1-amino-1-imino-3-methylbutan-2-yl]carbamate
CID 21076936
tert-butyl N-(1-amino-1-imino-3-methylbutan-2-yl)carbamate
CID 45092215

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-(1-amino-1-hydroxyimino-3,3-dimethylbutan-2-yl)carbamate?
The IUPAC name of tert-butyl N-(1-amino-1-hydroxyimino-3,3-dimethylbutan-2-yl)carbamate (CID 131150544) is tert-butyl N-(1-amino-1-hydroxyimino-3,3-dimethylbutan-2-yl)carbamate.
What is the SMILES notation for tert-butyl N-(1-amino-1-hydroxyimino-3,3-dimethylbutan-2-yl)carbamate?
The canonical SMILES for tert-butyl N-(1-amino-1-hydroxyimino-3,3-dimethylbutan-2-yl)carbamate is CC(C)(C)OC(=O)NC(C(N)=NO)C(C)(C)C.
What is the InChIKey of tert-butyl N-(1-amino-1-hydroxyimino-3,3-dimethylbutan-2-yl)carbamate?
The InChIKey is WOPQIMXXWQFZIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23N3O3/c1-10(2,3)7(8(12)14-16)13-9(15)17-11(4,5)6/h7,16H,1-6H3,(H2,12,14)(H,13,15).
What are the key properties of tert-butyl N-(1-amino-1-hydroxyimino-3,3-dimethylbutan-2-yl)carbamate?
tert-butyl N-(1-amino-1-hydroxyimino-3,3-dimethylbutan-2-yl)carbamate has a molecular weight of 245.32 g/mol, XLogP of 1.67, 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-amino-1-hydroxyimino-3,3-dimethylbutan-2-yl)carbamate is sourced from PubChem (CID 131150544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).