1,2-dihydroxyethylurea

C3H8N2O3 — CID 18380938

IUPAC1,2-dihydroxyethylurea
SMILESNC(=O)NC(O)CO
InChIInChI=1S/C3H8N2O3/c4-3(8)5-2(7)1-6/h2,6-7H,1H2,(H3,4,5,8)
InChIKeyHVVBZIMOPYIHQM-UHFFFAOYSA-N
MW120.11 g/mol
LogP-2.03
Rot. Bonds2

About 1,2-dihydroxyethylurea

1,2-dihydroxyethylurea (PubChem CID 18380938) has the molecular formula C3H8N2O3 and a molecular weight of 120.11 g/mol. Its IUPAC name is 1,2-dihydroxyethylurea.

Molecular Properties

Compound Name1,2-dihydroxyethylurea
PubChem CID18380938
Molecular FormulaC3H8N2O3
Molecular Weight120.11 g/mol
Exact Mass120.05
IUPAC Name1,2-dihydroxyethylurea
SMILESNC(=O)NC(O)CO
InChIInChI=1S/C3H8N2O3/c4-3(8)5-2(7)1-6/h2,6-7H,1H2,(H3,4,5,8)
InChIKeyHVVBZIMOPYIHQM-UHFFFAOYSA-N
XLogP-2.03
TPSA95.58 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500120.11
LogP ≤ 5-2.03
H-Bond Donors ≤ 54
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 1,2-dihydroxyethylurea?
The IUPAC name of 1,2-dihydroxyethylurea (CID 18380938) is 1,2-dihydroxyethylurea.
What is the SMILES notation for 1,2-dihydroxyethylurea?
The canonical SMILES for 1,2-dihydroxyethylurea is NC(=O)NC(O)CO.
What is the InChIKey of 1,2-dihydroxyethylurea?
The InChIKey is HVVBZIMOPYIHQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H8N2O3/c4-3(8)5-2(7)1-6/h2,6-7H,1H2,(H3,4,5,8).
What are the key properties of 1,2-dihydroxyethylurea?
1,2-dihydroxyethylurea has a molecular weight of 120.11 g/mol, XLogP of -2.03, 2 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-dihydroxyethylurea is sourced from PubChem (CID 18380938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).