[(2R)-butan-2-yl]urea

C5H12N2O — CID 853797

IUPAC[(2R)-butan-2-yl]urea
SMILESCC[C@@H](C)NC(N)=O
InChIInChI=1S/C5H12N2O/c1-3-4(2)7-5(6)8/h4H,3H2,1-2H3,(H3,6,7,8)/t4-/m1/s1
InChIKeyCBRSBDUOPJQVMP-SCSAIBSYSA-N
MW116.16 g/mol
LogP0.45
Rot. Bonds2

About [(2R)-butan-2-yl]urea

[(2R)-butan-2-yl]urea (PubChem CID 853797) has the molecular formula C5H12N2O and a molecular weight of 116.16 g/mol. Its IUPAC name is [(2R)-butan-2-yl]urea.

Molecular Properties

Compound Name[(2R)-butan-2-yl]urea
PubChem CID853797
Molecular FormulaC5H12N2O
Molecular Weight116.16 g/mol
Exact Mass116.09
IUPAC Name[(2R)-butan-2-yl]urea
SMILESCC[C@@H](C)NC(N)=O
InChIInChI=1S/C5H12N2O/c1-3-4(2)7-5(6)8/h4H,3H2,1-2H3,(H3,6,7,8)/t4-/m1/s1
InChIKeyCBRSBDUOPJQVMP-SCSAIBSYSA-N
XLogP0.45
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500116.16
LogP ≤ 50.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Analyze [(2R)-butan-2-yl]urea with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [(2R)-butan-2-yl]urea?
The IUPAC name of [(2R)-butan-2-yl]urea (CID 853797) is [(2R)-butan-2-yl]urea.
What is the SMILES notation for [(2R)-butan-2-yl]urea?
The canonical SMILES for [(2R)-butan-2-yl]urea is CC[C@@H](C)NC(N)=O.
What is the InChIKey of [(2R)-butan-2-yl]urea?
The InChIKey is CBRSBDUOPJQVMP-SCSAIBSYSA-N. The full InChI is InChI=1S/C5H12N2O/c1-3-4(2)7-5(6)8/h4H,3H2,1-2H3,(H3,6,7,8)/t4-/m1/s1.
What are the key properties of [(2R)-butan-2-yl]urea?
[(2R)-butan-2-yl]urea has a molecular weight of 116.16 g/mol, XLogP of 0.45, 2 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-butan-2-yl]urea is sourced from PubChem (CID 853797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).