2-methoxyethyl carbamate

C4H9NO3 — CID 15375

IUPAC2-methoxyethyl carbamate
SMILESCOCCOC(N)=O
InChIInChI=1S/C4H9NO3/c1-7-2-3-8-4(5)6/h2-3H2,1H3,(H2,5,6)
InChIKeyQAQJKDRAJZWQCM-UHFFFAOYSA-N
MW119.12 g/mol
LogP-0.27
Rot. Bonds3

About 2-methoxyethyl carbamate

2-methoxyethyl carbamate (PubChem CID 15375) has the molecular formula C4H9NO3 and a molecular weight of 119.12 g/mol. Its IUPAC name is 2-methoxyethyl carbamate.

Molecular Properties

Compound Name2-methoxyethyl carbamate
PubChem CID15375
Molecular FormulaC4H9NO3
Molecular Weight119.12 g/mol
Exact Mass119.06
IUPAC Name2-methoxyethyl carbamate
SMILESCOCCOC(N)=O
InChIInChI=1S/C4H9NO3/c1-7-2-3-8-4(5)6/h2-3H2,1H3,(H2,5,6)
InChIKeyQAQJKDRAJZWQCM-UHFFFAOYSA-N
XLogP-0.27
TPSA61.55 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500119.12
LogP ≤ 5-0.27
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-methoxyethyl carbamate?
The IUPAC name of 2-methoxyethyl carbamate (CID 15375) is 2-methoxyethyl carbamate.
What is the SMILES notation for 2-methoxyethyl carbamate?
The canonical SMILES for 2-methoxyethyl carbamate is COCCOC(N)=O.
What is the InChIKey of 2-methoxyethyl carbamate?
The InChIKey is QAQJKDRAJZWQCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H9NO3/c1-7-2-3-8-4(5)6/h2-3H2,1H3,(H2,5,6).
What are the key properties of 2-methoxyethyl carbamate?
2-methoxyethyl carbamate has a molecular weight of 119.12 g/mol, XLogP of -0.27, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxyethyl carbamate is sourced from PubChem (CID 15375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).