1-ethoxyethyl carbamate

C5H11NO3 — CID 22266872

IUPAC1-ethoxyethyl carbamate
SMILESCCOC(C)OC(N)=O
InChIInChI=1S/C5H11NO3/c1-3-8-4(2)9-5(6)7/h4H,3H2,1-2H3,(H2,6,7)
InChIKeyCWTSJGCTRRZTBT-UHFFFAOYSA-N
MW133.15 g/mol
LogP0.46
Rot. Bonds3

About 1-ethoxyethyl carbamate

1-ethoxyethyl carbamate (PubChem CID 22266872) has the molecular formula C5H11NO3 and a molecular weight of 133.15 g/mol. Its IUPAC name is 1-ethoxyethyl carbamate.

Molecular Properties

Compound Name1-ethoxyethyl carbamate
PubChem CID22266872
Molecular FormulaC5H11NO3
Molecular Weight133.15 g/mol
Exact Mass133.07
IUPAC Name1-ethoxyethyl carbamate
SMILESCCOC(C)OC(N)=O
InChIInChI=1S/C5H11NO3/c1-3-8-4(2)9-5(6)7/h4H,3H2,1-2H3,(H2,6,7)
InChIKeyCWTSJGCTRRZTBT-UHFFFAOYSA-N
XLogP0.46
TPSA61.55 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500133.15
LogP ≤ 50.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-ethoxyethyl carbamate?
The IUPAC name of 1-ethoxyethyl carbamate (CID 22266872) is 1-ethoxyethyl carbamate.
What is the SMILES notation for 1-ethoxyethyl carbamate?
The canonical SMILES for 1-ethoxyethyl carbamate is CCOC(C)OC(N)=O.
What is the InChIKey of 1-ethoxyethyl carbamate?
The InChIKey is CWTSJGCTRRZTBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H11NO3/c1-3-8-4(2)9-5(6)7/h4H,3H2,1-2H3,(H2,6,7).
What are the key properties of 1-ethoxyethyl carbamate?
1-ethoxyethyl carbamate has a molecular weight of 133.15 g/mol, XLogP of 0.46, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethoxyethyl carbamate is sourced from PubChem (CID 22266872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).