[2-hydroxy-1-(2-hydroxyethoxy)ethyl]urea

C5H12N2O4 — CID 18380937

IUPAC[2-hydroxy-1-(2-hydroxyethoxy)ethyl]urea
SMILESNC(=O)NC(CO)OCCO
InChIInChI=1S/C5H12N2O4/c6-5(10)7-4(3-9)11-2-1-8/h4,8-9H,1-3H2,(H3,6,7,10)
InChIKeyJCSHWASBJVVXAF-UHFFFAOYSA-N
MW164.16 g/mol
LogP-2.02
Rot. Bonds5

About [2-hydroxy-1-(2-hydroxyethoxy)ethyl]urea

[2-hydroxy-1-(2-hydroxyethoxy)ethyl]urea (PubChem CID 18380937) has the molecular formula C5H12N2O4 and a molecular weight of 164.16 g/mol. Its IUPAC name is [2-hydroxy-1-(2-hydroxyethoxy)ethyl]urea.

Molecular Properties

Compound Name[2-hydroxy-1-(2-hydroxyethoxy)ethyl]urea
PubChem CID18380937
Molecular FormulaC5H12N2O4
Molecular Weight164.16 g/mol
Exact Mass164.08
IUPAC Name[2-hydroxy-1-(2-hydroxyethoxy)ethyl]urea
SMILESNC(=O)NC(CO)OCCO
InChIInChI=1S/C5H12N2O4/c6-5(10)7-4(3-9)11-2-1-8/h4,8-9H,1-3H2,(H3,6,7,10)
InChIKeyJCSHWASBJVVXAF-UHFFFAOYSA-N
XLogP-2.02
TPSA104.81 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.16
LogP ≤ 5-2.02
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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 [2-hydroxy-1-(2-hydroxyethoxy)ethyl]urea?
The IUPAC name of [2-hydroxy-1-(2-hydroxyethoxy)ethyl]urea (CID 18380937) is [2-hydroxy-1-(2-hydroxyethoxy)ethyl]urea.
What is the SMILES notation for [2-hydroxy-1-(2-hydroxyethoxy)ethyl]urea?
The canonical SMILES for [2-hydroxy-1-(2-hydroxyethoxy)ethyl]urea is NC(=O)NC(CO)OCCO.
What is the InChIKey of [2-hydroxy-1-(2-hydroxyethoxy)ethyl]urea?
The InChIKey is JCSHWASBJVVXAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H12N2O4/c6-5(10)7-4(3-9)11-2-1-8/h4,8-9H,1-3H2,(H3,6,7,10).
What are the key properties of [2-hydroxy-1-(2-hydroxyethoxy)ethyl]urea?
[2-hydroxy-1-(2-hydroxyethoxy)ethyl]urea has a molecular weight of 164.16 g/mol, XLogP of -2.02, 5 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-hydroxy-1-(2-hydroxyethoxy)ethyl]urea is sourced from PubChem (CID 18380937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).