3-hydroxybutan-2-ylurea

C5H12N2O2 — CID 22114678

IUPAC3-hydroxybutan-2-ylurea
SMILESCC(O)C(C)NC(N)=O
InChIInChI=1S/C5H12N2O2/c1-3(4(2)8)7-5(6)9/h3-4,8H,1-2H3,(H3,6,7,9)
InChIKeyCDSHGYYXTBWGNU-UHFFFAOYSA-N
MW132.16 g/mol
LogP-0.58
Rot. Bonds2

About 3-hydroxybutan-2-ylurea

3-hydroxybutan-2-ylurea (PubChem CID 22114678) has the molecular formula C5H12N2O2 and a molecular weight of 132.16 g/mol. Its IUPAC name is 3-hydroxybutan-2-ylurea.

Molecular Properties

Compound Name3-hydroxybutan-2-ylurea
PubChem CID22114678
Molecular FormulaC5H12N2O2
Molecular Weight132.16 g/mol
Exact Mass132.09
IUPAC Name3-hydroxybutan-2-ylurea
SMILESCC(O)C(C)NC(N)=O
InChIInChI=1S/C5H12N2O2/c1-3(4(2)8)7-5(6)9/h3-4,8H,1-2H3,(H3,6,7,9)
InChIKeyCDSHGYYXTBWGNU-UHFFFAOYSA-N
XLogP-0.58
TPSA75.35 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500132.16
LogP ≤ 5-0.58
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-hydroxybutan-2-ylurea?
The IUPAC name of 3-hydroxybutan-2-ylurea (CID 22114678) is 3-hydroxybutan-2-ylurea.
What is the SMILES notation for 3-hydroxybutan-2-ylurea?
The canonical SMILES for 3-hydroxybutan-2-ylurea is CC(O)C(C)NC(N)=O.
What is the InChIKey of 3-hydroxybutan-2-ylurea?
The InChIKey is CDSHGYYXTBWGNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H12N2O2/c1-3(4(2)8)7-5(6)9/h3-4,8H,1-2H3,(H3,6,7,9).
What are the key properties of 3-hydroxybutan-2-ylurea?
3-hydroxybutan-2-ylurea has a molecular weight of 132.16 g/mol, XLogP of -0.58, 2 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxybutan-2-ylurea is sourced from PubChem (CID 22114678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).