tert-butyl N-(2-hydroxyiminoethyl)-N-methylcarbamate

C8H16N2O3 — CID 163398675

IUPACtert-butyl N-(2-hydroxyiminoethyl)-N-methylcarbamate
SMILESCN(CC=NO)C(=O)OC(C)(C)C
InChIInChI=1S/C8H16N2O3/c1-8(2,3)13-7(11)10(4)6-5-9-12/h5,12H,6H2,1-4H3
InChIKeyYAQPAZSSVHOMGM-UHFFFAOYSA-N
MW188.23 g/mol
LogP1.31
Rot. Bonds2

About tert-butyl N-(2-hydroxyiminoethyl)-N-methylcarbamate

tert-butyl N-(2-hydroxyiminoethyl)-N-methylcarbamate (PubChem CID 163398675) has the molecular formula C8H16N2O3 and a molecular weight of 188.23 g/mol. Its IUPAC name is tert-butyl N-(2-hydroxyiminoethyl)-N-methylcarbamate.

Molecular Properties

Compound Nametert-butyl N-(2-hydroxyiminoethyl)-N-methylcarbamate
PubChem CID163398675
Molecular FormulaC8H16N2O3
Molecular Weight188.23 g/mol
Exact Mass188.12
IUPAC Nametert-butyl N-(2-hydroxyiminoethyl)-N-methylcarbamate
SMILESCN(CC=NO)C(=O)OC(C)(C)C
InChIInChI=1S/C8H16N2O3/c1-8(2,3)13-7(11)10(4)6-5-9-12/h5,12H,6H2,1-4H3
InChIKeyYAQPAZSSVHOMGM-UHFFFAOYSA-N
XLogP1.31
TPSA62.13 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.23
LogP ≤ 51.31
H-Bond Donors ≤ 51
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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Related Compounds

tert-butyl N-[(Z)-3-fluoro-4-oxobut-2-enyl]-N-methylcarbamate
CID 146439863
tert-butyl N-methyl-N-pent-4-enylcarbamate
CID 20756745
tert-butyl N-[(4Z)-4-hydroxyiminobutan-2-yl]-N-prop-2-enylcarbamate
CID 102278228
tert-butyl N-[2-hydroxy-3-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]propyl]-N-methylcarbamate
CID 22485464
magnesium;tert-butyl N-ethyl-N-methylcarbamate;bromide
CID 166521471
2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]ethylazanium
CID 7006641
potassium 2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]acetate
CID 140930688
tert-butyl N-(2-aminooxyethyl)-N-methylcarbamate
CID 23398498
tert-butyl N-(2-bromo-2,2-difluoroethyl)-N-methylcarbamate
CID 130561064
tert-butyl N-[(2,5-dichlorophenyl)methyl]-N-(2-hydroxyiminoethyl)carbamate
CID 163398557
tert-butyl N-(3-amino-3-hydroxyimino-2-methylpropyl)-N-methylcarbamate
CID 75834024
tert-butyl N-methyl-N-[3-(methylideneamino)prop-2-ynyl]carbamate
CID 130472353

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-(2-hydroxyiminoethyl)-N-methylcarbamate?
The IUPAC name of tert-butyl N-(2-hydroxyiminoethyl)-N-methylcarbamate (CID 163398675) is tert-butyl N-(2-hydroxyiminoethyl)-N-methylcarbamate.
What is the SMILES notation for tert-butyl N-(2-hydroxyiminoethyl)-N-methylcarbamate?
The canonical SMILES for tert-butyl N-(2-hydroxyiminoethyl)-N-methylcarbamate is CN(CC=NO)C(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-(2-hydroxyiminoethyl)-N-methylcarbamate?
The InChIKey is YAQPAZSSVHOMGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N2O3/c1-8(2,3)13-7(11)10(4)6-5-9-12/h5,12H,6H2,1-4H3.
What are the key properties of tert-butyl N-(2-hydroxyiminoethyl)-N-methylcarbamate?
tert-butyl N-(2-hydroxyiminoethyl)-N-methylcarbamate has a molecular weight of 188.23 g/mol, XLogP of 1.31, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-(2-hydroxyiminoethyl)-N-methylcarbamate is sourced from PubChem (CID 163398675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).