5-[4-(hydroxyamino)butyl]imidazolidine-2,4-dione

C7H13N3O3 — CID 159207238

IUPAC5-[4-(hydroxyamino)butyl]imidazolidine-2,4-dione
SMILESO=C1NC(=O)C(CCCCNO)N1
InChIInChI=1S/C7H13N3O3/c11-6-5(9-7(12)10-6)3-1-2-4-8-13/h5,8,13H,1-4H2,(H2,9,10,11,12)
InChIKeyBEUYTYWOOMZGDC-UHFFFAOYSA-N
MW187.20 g/mol
LogP-0.66
Rot. Bonds5

About 5-[4-(hydroxyamino)butyl]imidazolidine-2,4-dione

5-[4-(hydroxyamino)butyl]imidazolidine-2,4-dione (PubChem CID 159207238) has the molecular formula C7H13N3O3 and a molecular weight of 187.20 g/mol. Its IUPAC name is 5-[4-(hydroxyamino)butyl]imidazolidine-2,4-dione.

Molecular Properties

Compound Name5-[4-(hydroxyamino)butyl]imidazolidine-2,4-dione
PubChem CID159207238
Molecular FormulaC7H13N3O3
Molecular Weight187.20 g/mol
Exact Mass187.10
IUPAC Name5-[4-(hydroxyamino)butyl]imidazolidine-2,4-dione
SMILESO=C1NC(=O)C(CCCCNO)N1
InChIInChI=1S/C7H13N3O3/c11-6-5(9-7(12)10-6)3-1-2-4-8-13/h5,8,13H,1-4H2,(H2,9,10,11,12)
InChIKeyBEUYTYWOOMZGDC-UHFFFAOYSA-N
XLogP-0.66
TPSA90.46 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.20
LogP ≤ 5-0.66
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-[4-(hydroxyamino)butyl]imidazolidine-2,4-dione?
The IUPAC name of 5-[4-(hydroxyamino)butyl]imidazolidine-2,4-dione (CID 159207238) is 5-[4-(hydroxyamino)butyl]imidazolidine-2,4-dione.
What is the SMILES notation for 5-[4-(hydroxyamino)butyl]imidazolidine-2,4-dione?
The canonical SMILES for 5-[4-(hydroxyamino)butyl]imidazolidine-2,4-dione is O=C1NC(=O)C(CCCCNO)N1.
What is the InChIKey of 5-[4-(hydroxyamino)butyl]imidazolidine-2,4-dione?
The InChIKey is BEUYTYWOOMZGDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13N3O3/c11-6-5(9-7(12)10-6)3-1-2-4-8-13/h5,8,13H,1-4H2,(H2,9,10,11,12).
What are the key properties of 5-[4-(hydroxyamino)butyl]imidazolidine-2,4-dione?
5-[4-(hydroxyamino)butyl]imidazolidine-2,4-dione has a molecular weight of 187.20 g/mol, XLogP of -0.66, 5 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-(hydroxyamino)butyl]imidazolidine-2,4-dione is sourced from PubChem (CID 159207238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).