2-ethoxyethyl carbamate

C5H11NO3 — CID 12349

IUPAC2-ethoxyethyl carbamate
SMILESCCOCCOC(N)=O
InChIInChI=1S/C5H11NO3/c1-2-8-3-4-9-5(6)7/h2-4H2,1H3,(H2,6,7)
InChIKeySUTGPOOOBVWLON-UHFFFAOYSA-N
MW133.15 g/mol
LogP0.12
Rot. Bonds4

About 2-ethoxyethyl carbamate

2-ethoxyethyl carbamate (PubChem CID 12349) has the molecular formula C5H11NO3 and a molecular weight of 133.15 g/mol. Its IUPAC name is 2-ethoxyethyl carbamate.

Molecular Properties

Compound Name2-ethoxyethyl carbamate
PubChem CID12349
Molecular FormulaC5H11NO3
Molecular Weight133.15 g/mol
Exact Mass133.07
IUPAC Name2-ethoxyethyl carbamate
SMILESCCOCCOC(N)=O
InChIInChI=1S/C5H11NO3/c1-2-8-3-4-9-5(6)7/h2-4H2,1H3,(H2,6,7)
InChIKeySUTGPOOOBVWLON-UHFFFAOYSA-N
XLogP0.12
TPSA61.55 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500133.15
LogP ≤ 50.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-ethoxyethyl carbamate?
The IUPAC name of 2-ethoxyethyl carbamate (CID 12349) is 2-ethoxyethyl carbamate.
What is the SMILES notation for 2-ethoxyethyl carbamate?
The canonical SMILES for 2-ethoxyethyl carbamate is CCOCCOC(N)=O.
What is the InChIKey of 2-ethoxyethyl carbamate?
The InChIKey is SUTGPOOOBVWLON-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H11NO3/c1-2-8-3-4-9-5(6)7/h2-4H2,1H3,(H2,6,7).
What are the key properties of 2-ethoxyethyl carbamate?
2-ethoxyethyl carbamate has a molecular weight of 133.15 g/mol, XLogP of 0.12, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxyethyl carbamate is sourced from PubChem (CID 12349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).