2-(2-hydroxyethoxy)ethyl N,N-bis(hydroxymethyl)carbamate

C7H15NO6 — CID 3085479

IUPAC2-(2-hydroxyethoxy)ethyl N,N-bis(hydroxymethyl)carbamate
SMILESO=C(OCCOCCO)N(CO)CO
InChIInChI=1S/C7H15NO6/c9-1-2-13-3-4-14-7(12)8(5-10)6-11/h9-11H,1-6H2
InChIKeyQDHBHMYSYXWUAS-UHFFFAOYSA-N
MW209.20 g/mol
LogP-1.67
Rot. Bonds7

About 2-(2-hydroxyethoxy)ethyl N,N-bis(hydroxymethyl)carbamate

2-(2-hydroxyethoxy)ethyl N,N-bis(hydroxymethyl)carbamate (PubChem CID 3085479) has the molecular formula C7H15NO6 and a molecular weight of 209.20 g/mol. Its IUPAC name is 2-(2-hydroxyethoxy)ethyl N,N-bis(hydroxymethyl)carbamate.

Molecular Properties

Compound Name2-(2-hydroxyethoxy)ethyl N,N-bis(hydroxymethyl)carbamate
PubChem CID3085479
Molecular FormulaC7H15NO6
Molecular Weight209.20 g/mol
Exact Mass209.09
IUPAC Name2-(2-hydroxyethoxy)ethyl N,N-bis(hydroxymethyl)carbamate
SMILESO=C(OCCOCCO)N(CO)CO
InChIInChI=1S/C7H15NO6/c9-1-2-13-3-4-14-7(12)8(5-10)6-11/h9-11H,1-6H2
InChIKeyQDHBHMYSYXWUAS-UHFFFAOYSA-N
XLogP-1.67
TPSA99.46 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.20
LogP ≤ 5-1.67
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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-(2-hydroxyethoxy)ethyl N,N-bis(hydroxymethyl)carbamate?
The IUPAC name of 2-(2-hydroxyethoxy)ethyl N,N-bis(hydroxymethyl)carbamate (CID 3085479) is 2-(2-hydroxyethoxy)ethyl N,N-bis(hydroxymethyl)carbamate.
What is the SMILES notation for 2-(2-hydroxyethoxy)ethyl N,N-bis(hydroxymethyl)carbamate?
The canonical SMILES for 2-(2-hydroxyethoxy)ethyl N,N-bis(hydroxymethyl)carbamate is O=C(OCCOCCO)N(CO)CO.
What is the InChIKey of 2-(2-hydroxyethoxy)ethyl N,N-bis(hydroxymethyl)carbamate?
The InChIKey is QDHBHMYSYXWUAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15NO6/c9-1-2-13-3-4-14-7(12)8(5-10)6-11/h9-11H,1-6H2.
What are the key properties of 2-(2-hydroxyethoxy)ethyl N,N-bis(hydroxymethyl)carbamate?
2-(2-hydroxyethoxy)ethyl N,N-bis(hydroxymethyl)carbamate has a molecular weight of 209.20 g/mol, XLogP of -1.67, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-hydroxyethoxy)ethyl N,N-bis(hydroxymethyl)carbamate is sourced from PubChem (CID 3085479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).