2,3-dihydroxybutylurea

C5H12N2O3 — CID 24864170

IUPAC2,3-dihydroxybutylurea
SMILESCC(O)C(O)CNC(N)=O
InChIInChI=1S/C5H12N2O3/c1-3(8)4(9)2-7-5(6)10/h3-4,8-9H,2H2,1H3,(H3,6,7,10)
InChIKeyBYUGAPYZHQCUTL-UHFFFAOYSA-N
MW148.16 g/mol
LogP-1.60
Rot. Bonds3

About 2,3-dihydroxybutylurea

2,3-dihydroxybutylurea (PubChem CID 24864170) has the molecular formula C5H12N2O3 and a molecular weight of 148.16 g/mol. Its IUPAC name is 2,3-dihydroxybutylurea.

Molecular Properties

Compound Name2,3-dihydroxybutylurea
PubChem CID24864170
Molecular FormulaC5H12N2O3
Molecular Weight148.16 g/mol
Exact Mass148.08
IUPAC Name2,3-dihydroxybutylurea
SMILESCC(O)C(O)CNC(N)=O
InChIInChI=1S/C5H12N2O3/c1-3(8)4(9)2-7-5(6)10/h3-4,8-9H,2H2,1H3,(H3,6,7,10)
InChIKeyBYUGAPYZHQCUTL-UHFFFAOYSA-N
XLogP-1.60
TPSA95.58 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500148.16
LogP ≤ 5-1.60
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,3-dihydroxybutylurea?
The IUPAC name of 2,3-dihydroxybutylurea (CID 24864170) is 2,3-dihydroxybutylurea.
What is the SMILES notation for 2,3-dihydroxybutylurea?
The canonical SMILES for 2,3-dihydroxybutylurea is CC(O)C(O)CNC(N)=O.
What is the InChIKey of 2,3-dihydroxybutylurea?
The InChIKey is BYUGAPYZHQCUTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H12N2O3/c1-3(8)4(9)2-7-5(6)10/h3-4,8-9H,2H2,1H3,(H3,6,7,10).
What are the key properties of 2,3-dihydroxybutylurea?
2,3-dihydroxybutylurea has a molecular weight of 148.16 g/mol, XLogP of -1.60, 3 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dihydroxybutylurea is sourced from PubChem (CID 24864170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).