propan-2-ylcarbamoyloxymethyl ethanimidate

C7H14N2O3 — CID 138493389

IUPACpropan-2-ylcarbamoyloxymethyl ethanimidate
SMILES[H]/N=C(\C)OCOC(=O)NC(C)C
InChIInChI=1S/C7H14N2O3/c1-5(2)9-7(10)12-4-11-6(3)8/h5,8H,4H2,1-3H3,(H,9,10)/b8-6+
InChIKeyGJKDFBYLEYQFOH-SOFGYWHQSA-N
MW174.20 g/mol
LogP1.09
Rot. Bonds3

About propan-2-ylcarbamoyloxymethyl ethanimidate

propan-2-ylcarbamoyloxymethyl ethanimidate (PubChem CID 138493389) has the molecular formula C7H14N2O3 and a molecular weight of 174.20 g/mol. Its IUPAC name is propan-2-ylcarbamoyloxymethyl ethanimidate.

Molecular Properties

Compound Namepropan-2-ylcarbamoyloxymethyl ethanimidate
PubChem CID138493389
Molecular FormulaC7H14N2O3
Molecular Weight174.20 g/mol
Exact Mass174.10
IUPAC Namepropan-2-ylcarbamoyloxymethyl ethanimidate
SMILES[H]/N=C(\C)OCOC(=O)NC(C)C
InChIInChI=1S/C7H14N2O3/c1-5(2)9-7(10)12-4-11-6(3)8/h5,8H,4H2,1-3H3,(H,9,10)/b8-6+
InChIKeyGJKDFBYLEYQFOH-SOFGYWHQSA-N
XLogP1.09
TPSA71.41 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.20
LogP ≤ 51.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of propan-2-ylcarbamoyloxymethyl ethanimidate?
The IUPAC name of propan-2-ylcarbamoyloxymethyl ethanimidate (CID 138493389) is propan-2-ylcarbamoyloxymethyl ethanimidate.
What is the SMILES notation for propan-2-ylcarbamoyloxymethyl ethanimidate?
The canonical SMILES for propan-2-ylcarbamoyloxymethyl ethanimidate is [H]/N=C(\C)OCOC(=O)NC(C)C.
What is the InChIKey of propan-2-ylcarbamoyloxymethyl ethanimidate?
The InChIKey is GJKDFBYLEYQFOH-SOFGYWHQSA-N. The full InChI is InChI=1S/C7H14N2O3/c1-5(2)9-7(10)12-4-11-6(3)8/h5,8H,4H2,1-3H3,(H,9,10)/b8-6+.
What are the key properties of propan-2-ylcarbamoyloxymethyl ethanimidate?
propan-2-ylcarbamoyloxymethyl ethanimidate has a molecular weight of 174.20 g/mol, XLogP of 1.09, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-ylcarbamoyloxymethyl ethanimidate is sourced from PubChem (CID 138493389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).