3-[(4,5-dioxoimidazolidin-2-ylidene)amino]-2-hydroxypropanamide

C6H8N4O4 — CID 136849720

IUPAC3-[(4,5-dioxoimidazolidin-2-ylidene)amino]-2-hydroxypropanamide
SMILESNC(=O)C(O)CN=C1NC(=O)C(=O)N1
InChIInChI=1S/C6H8N4O4/c7-3(12)2(11)1-8-6-9-4(13)5(14)10-6/h2,11H,1H2,(H2,7,12)(H2,8,9,10,13,14)
InChIKeyGNOSWXCBIGYNQT-UHFFFAOYSA-N
MW200.15 g/mol
LogP-3.57
Rot. Bonds3

About 3-[(4,5-dioxoimidazolidin-2-ylidene)amino]-2-hydroxypropanamide

3-[(4,5-dioxoimidazolidin-2-ylidene)amino]-2-hydroxypropanamide (PubChem CID 136849720) has the molecular formula C6H8N4O4 and a molecular weight of 200.15 g/mol. Its IUPAC name is 3-[(4,5-dioxoimidazolidin-2-ylidene)amino]-2-hydroxypropanamide.

Molecular Properties

Compound Name3-[(4,5-dioxoimidazolidin-2-ylidene)amino]-2-hydroxypropanamide
PubChem CID136849720
Molecular FormulaC6H8N4O4
Molecular Weight200.15 g/mol
Exact Mass200.05
IUPAC Name3-[(4,5-dioxoimidazolidin-2-ylidene)amino]-2-hydroxypropanamide
SMILESNC(=O)C(O)CN=C1NC(=O)C(=O)N1
InChIInChI=1S/C6H8N4O4/c7-3(12)2(11)1-8-6-9-4(13)5(14)10-6/h2,11H,1H2,(H2,7,12)(H2,8,9,10,13,14)
InChIKeyGNOSWXCBIGYNQT-UHFFFAOYSA-N
XLogP-3.57
TPSA133.88 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.15
LogP ≤ 5-3.57
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-[(4,5-dioxoimidazolidin-2-ylidene)amino]-2-hydroxypropanamide?
The IUPAC name of 3-[(4,5-dioxoimidazolidin-2-ylidene)amino]-2-hydroxypropanamide (CID 136849720) is 3-[(4,5-dioxoimidazolidin-2-ylidene)amino]-2-hydroxypropanamide.
What is the SMILES notation for 3-[(4,5-dioxoimidazolidin-2-ylidene)amino]-2-hydroxypropanamide?
The canonical SMILES for 3-[(4,5-dioxoimidazolidin-2-ylidene)amino]-2-hydroxypropanamide is NC(=O)C(O)CN=C1NC(=O)C(=O)N1.
What is the InChIKey of 3-[(4,5-dioxoimidazolidin-2-ylidene)amino]-2-hydroxypropanamide?
The InChIKey is GNOSWXCBIGYNQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8N4O4/c7-3(12)2(11)1-8-6-9-4(13)5(14)10-6/h2,11H,1H2,(H2,7,12)(H2,8,9,10,13,14).
What are the key properties of 3-[(4,5-dioxoimidazolidin-2-ylidene)amino]-2-hydroxypropanamide?
3-[(4,5-dioxoimidazolidin-2-ylidene)amino]-2-hydroxypropanamide has a molecular weight of 200.15 g/mol, XLogP of -3.57, 3 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4,5-dioxoimidazolidin-2-ylidene)amino]-2-hydroxypropanamide is sourced from PubChem (CID 136849720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).