methyl N-(2-amino-2-hydroxyiminoethyl)-N-propylcarbamate

C7H15N3O3 — CID 76927714

IUPACmethyl N-(2-amino-2-hydroxyiminoethyl)-N-propylcarbamate
SMILESCCCN(CC(N)=NO)C(=O)OC
InChIInChI=1S/C7H15N3O3/c1-3-4-10(7(11)13-2)5-6(8)9-12/h12H,3-5H2,1-2H3,(H2,8,9)
InChIKeyZLMLZKVRUNEQOP-UHFFFAOYSA-N
MW189.22 g/mol
LogP0.21
Rot. Bonds4

About methyl N-(2-amino-2-hydroxyiminoethyl)-N-propylcarbamate

methyl N-(2-amino-2-hydroxyiminoethyl)-N-propylcarbamate (PubChem CID 76927714) has the molecular formula C7H15N3O3 and a molecular weight of 189.22 g/mol. Its IUPAC name is methyl N-(2-amino-2-hydroxyiminoethyl)-N-propylcarbamate.

Molecular Properties

Compound Namemethyl N-(2-amino-2-hydroxyiminoethyl)-N-propylcarbamate
PubChem CID76927714
Molecular FormulaC7H15N3O3
Molecular Weight189.22 g/mol
Exact Mass189.11
IUPAC Namemethyl N-(2-amino-2-hydroxyiminoethyl)-N-propylcarbamate
SMILESCCCN(CC(N)=NO)C(=O)OC
InChIInChI=1S/C7H15N3O3/c1-3-4-10(7(11)13-2)5-6(8)9-12/h12H,3-5H2,1-2H3,(H2,8,9)
InChIKeyZLMLZKVRUNEQOP-UHFFFAOYSA-N
XLogP0.21
TPSA88.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.22
LogP ≤ 50.21
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'}, {'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 methyl N-(2-amino-2-hydroxyiminoethyl)-N-propylcarbamate?
The IUPAC name of methyl N-(2-amino-2-hydroxyiminoethyl)-N-propylcarbamate (CID 76927714) is methyl N-(2-amino-2-hydroxyiminoethyl)-N-propylcarbamate.
What is the SMILES notation for methyl N-(2-amino-2-hydroxyiminoethyl)-N-propylcarbamate?
The canonical SMILES for methyl N-(2-amino-2-hydroxyiminoethyl)-N-propylcarbamate is CCCN(CC(N)=NO)C(=O)OC.
What is the InChIKey of methyl N-(2-amino-2-hydroxyiminoethyl)-N-propylcarbamate?
The InChIKey is ZLMLZKVRUNEQOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15N3O3/c1-3-4-10(7(11)13-2)5-6(8)9-12/h12H,3-5H2,1-2H3,(H2,8,9).
What are the key properties of methyl N-(2-amino-2-hydroxyiminoethyl)-N-propylcarbamate?
methyl N-(2-amino-2-hydroxyiminoethyl)-N-propylcarbamate has a molecular weight of 189.22 g/mol, XLogP of 0.21, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-(2-amino-2-hydroxyiminoethyl)-N-propylcarbamate is sourced from PubChem (CID 76927714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).