1-methoxyethyl carbamate

C4H9NO3 — CID 23617543

IUPAC1-methoxyethyl carbamate
SMILESCOC(C)OC(N)=O
InChIInChI=1S/C4H9NO3/c1-3(7-2)8-4(5)6/h3H,1-2H3,(H2,5,6)
InChIKeyJXBPDJIBFPFVSY-UHFFFAOYSA-N
MW119.12 g/mol
LogP0.07
Rot. Bonds2

About 1-methoxyethyl carbamate

1-methoxyethyl carbamate (PubChem CID 23617543) has the molecular formula C4H9NO3 and a molecular weight of 119.12 g/mol. Its IUPAC name is 1-methoxyethyl carbamate.

Molecular Properties

Compound Name1-methoxyethyl carbamate
PubChem CID23617543
Molecular FormulaC4H9NO3
Molecular Weight119.12 g/mol
Exact Mass119.06
IUPAC Name1-methoxyethyl carbamate
SMILESCOC(C)OC(N)=O
InChIInChI=1S/C4H9NO3/c1-3(7-2)8-4(5)6/h3H,1-2H3,(H2,5,6)
InChIKeyJXBPDJIBFPFVSY-UHFFFAOYSA-N
XLogP0.07
TPSA61.55 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500119.12
LogP ≤ 50.07
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-methoxyethyl carbamate?
The IUPAC name of 1-methoxyethyl carbamate (CID 23617543) is 1-methoxyethyl carbamate.
What is the SMILES notation for 1-methoxyethyl carbamate?
The canonical SMILES for 1-methoxyethyl carbamate is COC(C)OC(N)=O.
What is the InChIKey of 1-methoxyethyl carbamate?
The InChIKey is JXBPDJIBFPFVSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H9NO3/c1-3(7-2)8-4(5)6/h3H,1-2H3,(H2,5,6).
What are the key properties of 1-methoxyethyl carbamate?
1-methoxyethyl carbamate has a molecular weight of 119.12 g/mol, XLogP of 0.07, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methoxyethyl carbamate is sourced from PubChem (CID 23617543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).