methyl 2-[(2-methylpropan-2-yl)oxycarbonylamino]ethanimidate

C8H16N2O3 — CID 89216603

IUPACmethyl 2-[(2-methylpropan-2-yl)oxycarbonylamino]ethanimidate
SMILES[H]/N=C(/CNC(=O)OC(C)(C)C)OC
InChIInChI=1S/C8H16N2O3/c1-8(2,3)13-7(11)10-5-6(9)12-4/h9H,5H2,1-4H3,(H,10,11)/b9-6-
InChIKeyHNRGVWSZXUMVQD-TWGQIWQCSA-N
MW188.23 g/mol
LogP1.13
Rot. Bonds2

About methyl 2-[(2-methylpropan-2-yl)oxycarbonylamino]ethanimidate

methyl 2-[(2-methylpropan-2-yl)oxycarbonylamino]ethanimidate (PubChem CID 89216603) has the molecular formula C8H16N2O3 and a molecular weight of 188.23 g/mol. Its IUPAC name is methyl 2-[(2-methylpropan-2-yl)oxycarbonylamino]ethanimidate.

Molecular Properties

Compound Namemethyl 2-[(2-methylpropan-2-yl)oxycarbonylamino]ethanimidate
PubChem CID89216603
Molecular FormulaC8H16N2O3
Molecular Weight188.23 g/mol
Exact Mass188.12
IUPAC Namemethyl 2-[(2-methylpropan-2-yl)oxycarbonylamino]ethanimidate
SMILES[H]/N=C(/CNC(=O)OC(C)(C)C)OC
InChIInChI=1S/C8H16N2O3/c1-8(2,3)13-7(11)10-5-6(9)12-4/h9H,5H2,1-4H3,(H,10,11)/b9-6-
InChIKeyHNRGVWSZXUMVQD-TWGQIWQCSA-N
XLogP1.13
TPSA71.41 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.23
LogP ≤ 51.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

methyl 2-[(2-methylpropan-2-yl)oxycarbonylamino]acetate;propane
CID 144755686
methyl 2-imino-5-[(2-methylpropan-2-yl)oxycarbonylamino]-3-oxopentanoate
CID 145406631
cesium 2-[(2-methylpropan-2-yl)oxycarbonylamino]acetate
CID 23698633
tert-butyl N-(4-iminopentyl)carbamate
CID 159038278
tert-butyl N-[3-hydroxy-2-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]prop-2-enyl]carbamate
CID 89001171
tert-butyl N-[2-(methylamino)-2-oxoethyl]carbamate;hydrochloride
CID 91827965
ethane-1,2-diol;2-[(2-methylpropan-2-yl)oxycarbonylamino]acetic acid
CID 175289352
tert-butyl N-(3,3,3-trifluoro-2-oxopropyl)carbamate
CID 129451512
tert-butyl N-(3-bromo-2-oxopropyl)carbamate
CID 53439192
methyl 3-[(2-methylpropan-2-yl)oxycarbonylamino]propanimidothioate
CID 12715856
methoxy(methyl)azanide;2-[(2-methylpropan-2-yl)oxycarbonylamino]acetic acid
CID 131738289
tert-butyl N-(bromomethyl)carbamate
CID 20614913

Frequently Asked Questions

What is the IUPAC name of methyl 2-[(2-methylpropan-2-yl)oxycarbonylamino]ethanimidate?
The IUPAC name of methyl 2-[(2-methylpropan-2-yl)oxycarbonylamino]ethanimidate (CID 89216603) is methyl 2-[(2-methylpropan-2-yl)oxycarbonylamino]ethanimidate.
What is the SMILES notation for methyl 2-[(2-methylpropan-2-yl)oxycarbonylamino]ethanimidate?
The canonical SMILES for methyl 2-[(2-methylpropan-2-yl)oxycarbonylamino]ethanimidate is [H]/N=C(/CNC(=O)OC(C)(C)C)OC.
What is the InChIKey of methyl 2-[(2-methylpropan-2-yl)oxycarbonylamino]ethanimidate?
The InChIKey is HNRGVWSZXUMVQD-TWGQIWQCSA-N. The full InChI is InChI=1S/C8H16N2O3/c1-8(2,3)13-7(11)10-5-6(9)12-4/h9H,5H2,1-4H3,(H,10,11)/b9-6-.
What are the key properties of methyl 2-[(2-methylpropan-2-yl)oxycarbonylamino]ethanimidate?
methyl 2-[(2-methylpropan-2-yl)oxycarbonylamino]ethanimidate has a molecular weight of 188.23 g/mol, XLogP of 1.13, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(2-methylpropan-2-yl)oxycarbonylamino]ethanimidate is sourced from PubChem (CID 89216603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).