tert-butyl N-[(1E,2S)-1-hydroxyimino-3-methylbutan-2-yl]carbamate

C10H20N2O3 — CID 10512905

IUPACtert-butyl N-[(1E,2S)-1-hydroxyimino-3-methylbutan-2-yl]carbamate
SMILESCC(C)[C@@H](/C=N/O)NC(=O)OC(C)(C)C
InChIInChI=1S/C10H20N2O3/c1-7(2)8(6-11-14)12-9(13)15-10(3,4)5/h6-8,14H,1-5H3,(H,12,13)/b11-6+/t8-/m1/s1
InChIKeyJFGJGQNSFXHKAB-JMUHATKESA-N
MW216.28 g/mol
LogP2.00
Rot. Bonds3

About tert-butyl N-[(1E,2S)-1-hydroxyimino-3-methylbutan-2-yl]carbamate

tert-butyl N-[(1E,2S)-1-hydroxyimino-3-methylbutan-2-yl]carbamate (PubChem CID 10512905) has the molecular formula C10H20N2O3 and a molecular weight of 216.28 g/mol. Its IUPAC name is tert-butyl N-[(1E,2S)-1-hydroxyimino-3-methylbutan-2-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[(1E,2S)-1-hydroxyimino-3-methylbutan-2-yl]carbamate
PubChem CID10512905
Molecular FormulaC10H20N2O3
Molecular Weight216.28 g/mol
Exact Mass216.15
IUPAC Nametert-butyl N-[(1E,2S)-1-hydroxyimino-3-methylbutan-2-yl]carbamate
SMILESCC(C)[C@@H](/C=N/O)NC(=O)OC(C)(C)C
InChIInChI=1S/C10H20N2O3/c1-7(2)8(6-11-14)12-9(13)15-10(3,4)5/h6-8,14H,1-5H3,(H,12,13)/b11-6+/t8-/m1/s1
InChIKeyJFGJGQNSFXHKAB-JMUHATKESA-N
XLogP2.00
TPSA70.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.28
LogP ≤ 52.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', '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-[(1E,2S)-1-hydroxyimino-3-methylbutan-2-yl]carbamate?
The IUPAC name of tert-butyl N-[(1E,2S)-1-hydroxyimino-3-methylbutan-2-yl]carbamate (CID 10512905) is tert-butyl N-[(1E,2S)-1-hydroxyimino-3-methylbutan-2-yl]carbamate.
What is the SMILES notation for tert-butyl N-[(1E,2S)-1-hydroxyimino-3-methylbutan-2-yl]carbamate?
The canonical SMILES for tert-butyl N-[(1E,2S)-1-hydroxyimino-3-methylbutan-2-yl]carbamate is CC(C)[C@@H](/C=N/O)NC(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-[(1E,2S)-1-hydroxyimino-3-methylbutan-2-yl]carbamate?
The InChIKey is JFGJGQNSFXHKAB-JMUHATKESA-N. The full InChI is InChI=1S/C10H20N2O3/c1-7(2)8(6-11-14)12-9(13)15-10(3,4)5/h6-8,14H,1-5H3,(H,12,13)/b11-6+/t8-/m1/s1.
What are the key properties of tert-butyl N-[(1E,2S)-1-hydroxyimino-3-methylbutan-2-yl]carbamate?
tert-butyl N-[(1E,2S)-1-hydroxyimino-3-methylbutan-2-yl]carbamate has a molecular weight of 216.28 g/mol, XLogP of 2.00, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[(1E,2S)-1-hydroxyimino-3-methylbutan-2-yl]carbamate is sourced from PubChem (CID 10512905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).