4-hydroxybutylurea

C5H12N2O2 — CID 22179648

IUPAC4-hydroxybutylurea
SMILESNC(=O)NCCCCO
InChIInChI=1S/C5H12N2O2/c6-5(9)7-3-1-2-4-8/h8H,1-4H2,(H3,6,7,9)
InChIKeyANHWXVYLXIJYMY-UHFFFAOYSA-N
MW132.16 g/mol
LogP-0.57
Rot. Bonds4

About 4-hydroxybutylurea

4-hydroxybutylurea (PubChem CID 22179648) has the molecular formula C5H12N2O2 and a molecular weight of 132.16 g/mol. Its IUPAC name is 4-hydroxybutylurea.

Molecular Properties

Compound Name4-hydroxybutylurea
PubChem CID22179648
Molecular FormulaC5H12N2O2
Molecular Weight132.16 g/mol
Exact Mass132.09
IUPAC Name4-hydroxybutylurea
SMILESNC(=O)NCCCCO
InChIInChI=1S/C5H12N2O2/c6-5(9)7-3-1-2-4-8/h8H,1-4H2,(H3,6,7,9)
InChIKeyANHWXVYLXIJYMY-UHFFFAOYSA-N
XLogP-0.57
TPSA75.35 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500132.16
LogP ≤ 5-0.57
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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 4-hydroxybutylurea?
The IUPAC name of 4-hydroxybutylurea (CID 22179648) is 4-hydroxybutylurea.
What is the SMILES notation for 4-hydroxybutylurea?
The canonical SMILES for 4-hydroxybutylurea is NC(=O)NCCCCO.
What is the InChIKey of 4-hydroxybutylurea?
The InChIKey is ANHWXVYLXIJYMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H12N2O2/c6-5(9)7-3-1-2-4-8/h8H,1-4H2,(H3,6,7,9).
What are the key properties of 4-hydroxybutylurea?
4-hydroxybutylurea has a molecular weight of 132.16 g/mol, XLogP of -0.57, 4 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxybutylurea is sourced from PubChem (CID 22179648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).