(methoxycarbonylamino)methyl methanimidate

C4H8N2O3 — CID 15037334

IUPAC(methoxycarbonylamino)methyl methanimidate
SMILES[H]/N=C/OCNC(=O)OC
InChIInChI=1S/C4H8N2O3/c1-8-4(7)6-3-9-2-5/h2,5H,3H2,1H3,(H,6,7)/b5-2+
InChIKeyAXDCNQMJSHRGHN-GORDUTHDSA-N
MW132.12 g/mol
LogP-0.08
Rot. Bonds3

About (methoxycarbonylamino)methyl methanimidate

(methoxycarbonylamino)methyl methanimidate (PubChem CID 15037334) has the molecular formula C4H8N2O3 and a molecular weight of 132.12 g/mol. Its IUPAC name is (methoxycarbonylamino)methyl methanimidate.

Molecular Properties

Compound Name(methoxycarbonylamino)methyl methanimidate
PubChem CID15037334
Molecular FormulaC4H8N2O3
Molecular Weight132.12 g/mol
Exact Mass132.05
IUPAC Name(methoxycarbonylamino)methyl methanimidate
SMILES[H]/N=C/OCNC(=O)OC
InChIInChI=1S/C4H8N2O3/c1-8-4(7)6-3-9-2-5/h2,5H,3H2,1H3,(H,6,7)/b5-2+
InChIKeyAXDCNQMJSHRGHN-GORDUTHDSA-N
XLogP-0.08
TPSA71.41 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500132.12
LogP ≤ 5-0.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'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 (methoxycarbonylamino)methyl methanimidate?
The IUPAC name of (methoxycarbonylamino)methyl methanimidate (CID 15037334) is (methoxycarbonylamino)methyl methanimidate.
What is the SMILES notation for (methoxycarbonylamino)methyl methanimidate?
The canonical SMILES for (methoxycarbonylamino)methyl methanimidate is [H]/N=C/OCNC(=O)OC.
What is the InChIKey of (methoxycarbonylamino)methyl methanimidate?
The InChIKey is AXDCNQMJSHRGHN-GORDUTHDSA-N. The full InChI is InChI=1S/C4H8N2O3/c1-8-4(7)6-3-9-2-5/h2,5H,3H2,1H3,(H,6,7)/b5-2+.
What are the key properties of (methoxycarbonylamino)methyl methanimidate?
(methoxycarbonylamino)methyl methanimidate has a molecular weight of 132.12 g/mol, XLogP of -0.08, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (methoxycarbonylamino)methyl methanimidate is sourced from PubChem (CID 15037334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).