3-[(2S)-1-hydroxybutan-2-yl]imidazolidine-2,4-dione

C7H12N2O3 — CID 107861614

IUPAC3-[(2S)-1-hydroxybutan-2-yl]imidazolidine-2,4-dione
SMILESCC[C@@H](CO)N1C(=O)CNC1=O
InChIInChI=1S/C7H12N2O3/c1-2-5(4-10)9-6(11)3-8-7(9)12/h5,10H,2-4H2,1H3,(H,8,12)/t5-/m0/s1
InChIKeyCBDIHNXXQMSAGZ-YFKPBYRVSA-N
MW172.18 g/mol
LogP-0.69
Rot. Bonds3

About 3-[(2S)-1-hydroxybutan-2-yl]imidazolidine-2,4-dione

3-[(2S)-1-hydroxybutan-2-yl]imidazolidine-2,4-dione (PubChem CID 107861614) has the molecular formula C7H12N2O3 and a molecular weight of 172.18 g/mol. Its IUPAC name is 3-[(2S)-1-hydroxybutan-2-yl]imidazolidine-2,4-dione.

Molecular Properties

Compound Name3-[(2S)-1-hydroxybutan-2-yl]imidazolidine-2,4-dione
PubChem CID107861614
Molecular FormulaC7H12N2O3
Molecular Weight172.18 g/mol
Exact Mass172.08
IUPAC Name3-[(2S)-1-hydroxybutan-2-yl]imidazolidine-2,4-dione
SMILESCC[C@@H](CO)N1C(=O)CNC1=O
InChIInChI=1S/C7H12N2O3/c1-2-5(4-10)9-6(11)3-8-7(9)12/h5,10H,2-4H2,1H3,(H,8,12)/t5-/m0/s1
InChIKeyCBDIHNXXQMSAGZ-YFKPBYRVSA-N
XLogP-0.69
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.18
LogP ≤ 5-0.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydantoin', 'substructure': 'N/A'}

Analyze 3-[(2S)-1-hydroxybutan-2-yl]imidazolidine-2,4-dione 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 3-[(2S)-1-hydroxybutan-2-yl]imidazolidine-2,4-dione?
The IUPAC name of 3-[(2S)-1-hydroxybutan-2-yl]imidazolidine-2,4-dione (CID 107861614) is 3-[(2S)-1-hydroxybutan-2-yl]imidazolidine-2,4-dione.
What is the SMILES notation for 3-[(2S)-1-hydroxybutan-2-yl]imidazolidine-2,4-dione?
The canonical SMILES for 3-[(2S)-1-hydroxybutan-2-yl]imidazolidine-2,4-dione is CC[C@@H](CO)N1C(=O)CNC1=O.
What is the InChIKey of 3-[(2S)-1-hydroxybutan-2-yl]imidazolidine-2,4-dione?
The InChIKey is CBDIHNXXQMSAGZ-YFKPBYRVSA-N. The full InChI is InChI=1S/C7H12N2O3/c1-2-5(4-10)9-6(11)3-8-7(9)12/h5,10H,2-4H2,1H3,(H,8,12)/t5-/m0/s1.
What are the key properties of 3-[(2S)-1-hydroxybutan-2-yl]imidazolidine-2,4-dione?
3-[(2S)-1-hydroxybutan-2-yl]imidazolidine-2,4-dione has a molecular weight of 172.18 g/mol, XLogP of -0.69, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2S)-1-hydroxybutan-2-yl]imidazolidine-2,4-dione is sourced from PubChem (CID 107861614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).