2-ethoxyethyl N-aminocarbamate

C5H12N2O3 — CID 15790261

IUPAC2-ethoxyethyl N-aminocarbamate
SMILESCCOCCOC(=O)NN
InChIInChI=1S/C5H12N2O3/c1-2-9-3-4-10-5(8)7-6/h2-4,6H2,1H3,(H,7,8)
InChIKeyLTOOSLZGWCCCSY-UHFFFAOYSA-N
MW148.16 g/mol
LogP-0.38
Rot. Bonds4

About 2-ethoxyethyl N-aminocarbamate

2-ethoxyethyl N-aminocarbamate (PubChem CID 15790261) has the molecular formula C5H12N2O3 and a molecular weight of 148.16 g/mol. Its IUPAC name is 2-ethoxyethyl N-aminocarbamate.

Molecular Properties

Compound Name2-ethoxyethyl N-aminocarbamate
PubChem CID15790261
Molecular FormulaC5H12N2O3
Molecular Weight148.16 g/mol
Exact Mass148.08
IUPAC Name2-ethoxyethyl N-aminocarbamate
SMILESCCOCCOC(=O)NN
InChIInChI=1S/C5H12N2O3/c1-2-9-3-4-10-5(8)7-6/h2-4,6H2,1H3,(H,7,8)
InChIKeyLTOOSLZGWCCCSY-UHFFFAOYSA-N
XLogP-0.38
TPSA73.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500148.16
LogP ≤ 5-0.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyl_hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', '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 2-ethoxyethyl N-aminocarbamate?
The IUPAC name of 2-ethoxyethyl N-aminocarbamate (CID 15790261) is 2-ethoxyethyl N-aminocarbamate.
What is the SMILES notation for 2-ethoxyethyl N-aminocarbamate?
The canonical SMILES for 2-ethoxyethyl N-aminocarbamate is CCOCCOC(=O)NN.
What is the InChIKey of 2-ethoxyethyl N-aminocarbamate?
The InChIKey is LTOOSLZGWCCCSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H12N2O3/c1-2-9-3-4-10-5(8)7-6/h2-4,6H2,1H3,(H,7,8).
What are the key properties of 2-ethoxyethyl N-aminocarbamate?
2-ethoxyethyl N-aminocarbamate has a molecular weight of 148.16 g/mol, XLogP of -0.38, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxyethyl N-aminocarbamate is sourced from PubChem (CID 15790261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).