[(4S)-2,5-dioxoimidazolidin-4-yl]methoxyurea

C5H8N4O4 — CID 3246568

IUPAC[(4S)-2,5-dioxoimidazolidin-4-yl]methoxyurea
SMILESNC(=O)NOC[C@@H]1NC(=O)NC1=O
InChIInChI=1S/C5H8N4O4/c6-4(11)9-13-1-2-3(10)8-5(12)7-2/h2H,1H2,(H3,6,9,11)(H2,7,8,10,12)/t2-/m0/s1
InChIKeyOSNXEHYTTNFVIU-REOHCLBHSA-N
MW188.14 g/mol
LogP-2.21
Rot. Bonds3

About [(4S)-2,5-dioxoimidazolidin-4-yl]methoxyurea

[(4S)-2,5-dioxoimidazolidin-4-yl]methoxyurea (PubChem CID 3246568) has the molecular formula C5H8N4O4 and a molecular weight of 188.14 g/mol. Its IUPAC name is [(4S)-2,5-dioxoimidazolidin-4-yl]methoxyurea.

Molecular Properties

Compound Name[(4S)-2,5-dioxoimidazolidin-4-yl]methoxyurea
PubChem CID3246568
Molecular FormulaC5H8N4O4
Molecular Weight188.14 g/mol
Exact Mass188.05
IUPAC Name[(4S)-2,5-dioxoimidazolidin-4-yl]methoxyurea
SMILESNC(=O)NOC[C@@H]1NC(=O)NC1=O
InChIInChI=1S/C5H8N4O4/c6-4(11)9-13-1-2-3(10)8-5(12)7-2/h2H,1H2,(H3,6,9,11)(H2,7,8,10,12)/t2-/m0/s1
InChIKeyOSNXEHYTTNFVIU-REOHCLBHSA-N
XLogP-2.21
TPSA122.55 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.14
LogP ≤ 5-2.21
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze [(4S)-2,5-dioxoimidazolidin-4-yl]methoxyurea 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 [(4S)-2,5-dioxoimidazolidin-4-yl]methoxyurea?
The IUPAC name of [(4S)-2,5-dioxoimidazolidin-4-yl]methoxyurea (CID 3246568) is [(4S)-2,5-dioxoimidazolidin-4-yl]methoxyurea.
What is the SMILES notation for [(4S)-2,5-dioxoimidazolidin-4-yl]methoxyurea?
The canonical SMILES for [(4S)-2,5-dioxoimidazolidin-4-yl]methoxyurea is NC(=O)NOC[C@@H]1NC(=O)NC1=O.
What is the InChIKey of [(4S)-2,5-dioxoimidazolidin-4-yl]methoxyurea?
The InChIKey is OSNXEHYTTNFVIU-REOHCLBHSA-N. The full InChI is InChI=1S/C5H8N4O4/c6-4(11)9-13-1-2-3(10)8-5(12)7-2/h2H,1H2,(H3,6,9,11)(H2,7,8,10,12)/t2-/m0/s1.
What are the key properties of [(4S)-2,5-dioxoimidazolidin-4-yl]methoxyurea?
[(4S)-2,5-dioxoimidazolidin-4-yl]methoxyurea has a molecular weight of 188.14 g/mol, XLogP of -2.21, 3 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(4S)-2,5-dioxoimidazolidin-4-yl]methoxyurea is sourced from PubChem (CID 3246568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).