2-methoxyethyl N,N-bis(hydroxymethyl)carbamate

C6H13NO5 — CID 25005

IUPAC2-methoxyethyl N,N-bis(hydroxymethyl)carbamate
SMILESCOCCOC(=O)N(CO)CO
InChIInChI=1S/C6H13NO5/c1-11-2-3-12-6(10)7(4-8)5-9/h8-9H,2-5H2,1H3
InChIKeySKJLIATVTKHMNL-UHFFFAOYSA-N
MW179.17 g/mol
LogP-1.03
Rot. Bonds5

About 2-methoxyethyl N,N-bis(hydroxymethyl)carbamate

2-methoxyethyl N,N-bis(hydroxymethyl)carbamate (PubChem CID 25005) has the molecular formula C6H13NO5 and a molecular weight of 179.17 g/mol. Its IUPAC name is 2-methoxyethyl N,N-bis(hydroxymethyl)carbamate.

Molecular Properties

Compound Name2-methoxyethyl N,N-bis(hydroxymethyl)carbamate
PubChem CID25005
Molecular FormulaC6H13NO5
Molecular Weight179.17 g/mol
Exact Mass179.08
IUPAC Name2-methoxyethyl N,N-bis(hydroxymethyl)carbamate
SMILESCOCCOC(=O)N(CO)CO
InChIInChI=1S/C6H13NO5/c1-11-2-3-12-6(10)7(4-8)5-9/h8-9H,2-5H2,1H3
InChIKeySKJLIATVTKHMNL-UHFFFAOYSA-N
XLogP-1.03
TPSA79.23 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.17
LogP ≤ 5-1.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-methoxyethyl N,N-bis(hydroxymethyl)carbamate?
The IUPAC name of 2-methoxyethyl N,N-bis(hydroxymethyl)carbamate (CID 25005) is 2-methoxyethyl N,N-bis(hydroxymethyl)carbamate.
What is the SMILES notation for 2-methoxyethyl N,N-bis(hydroxymethyl)carbamate?
The canonical SMILES for 2-methoxyethyl N,N-bis(hydroxymethyl)carbamate is COCCOC(=O)N(CO)CO.
What is the InChIKey of 2-methoxyethyl N,N-bis(hydroxymethyl)carbamate?
The InChIKey is SKJLIATVTKHMNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13NO5/c1-11-2-3-12-6(10)7(4-8)5-9/h8-9H,2-5H2,1H3.
What are the key properties of 2-methoxyethyl N,N-bis(hydroxymethyl)carbamate?
2-methoxyethyl N,N-bis(hydroxymethyl)carbamate has a molecular weight of 179.17 g/mol, XLogP of -1.03, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxyethyl N,N-bis(hydroxymethyl)carbamate is sourced from PubChem (CID 25005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).