1-acetamido-3-aminourea

C3H8N4O2 — CID 20655906

IUPAC1-acetamido-3-aminourea
SMILESCC(=O)NNC(=O)NN
InChIInChI=1S/C3H8N4O2/c1-2(8)6-7-3(9)5-4/h4H2,1H3,(H,6,8)(H2,5,7,9)
InChIKeyWOELNAUJYBMEIS-UHFFFAOYSA-N
MW132.12 g/mol
LogP-1.79
Rot. Bonds

About 1-acetamido-3-aminourea

1-acetamido-3-aminourea (PubChem CID 20655906) has the molecular formula C3H8N4O2 and a molecular weight of 132.12 g/mol. Its IUPAC name is 1-acetamido-3-aminourea.

Molecular Properties

Compound Name1-acetamido-3-aminourea
PubChem CID20655906
Molecular FormulaC3H8N4O2
Molecular Weight132.12 g/mol
Exact Mass132.06
IUPAC Name1-acetamido-3-aminourea
SMILESCC(=O)NNC(=O)NN
InChIInChI=1S/C3H8N4O2/c1-2(8)6-7-3(9)5-4/h4H2,1H3,(H,6,8)(H2,5,7,9)
InChIKeyWOELNAUJYBMEIS-UHFFFAOYSA-N
XLogP-1.79
TPSA96.25 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500132.12
LogP ≤ 5-1.79
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

Acetic acid, 2-acetylhydrazide
CID 72884
2-Acetylhydrazinecarboxamide
CID 266149
Acetylthiocarbohydrazide
CID 19065736
Acetylhydrazine.acetylhydrazine
CID 129734855
1-Acetamido-3-(fluoroamino)urea
CID 20655907
1,3-Diacetamidothiourea
CID 4395853
Acetohydrazide;hydrazine
CID 14203648
(Propanoylamino)urea
CID 20539833
1,3-Diacetamidourea
CID 20655903
1-Acetamido-3-(dimethylamino)urea
CID 23526158
N'-(aminomethyl)acetohydrazide
CID 59696411
Aminourea;propanehydrazide
CID 88442086

Frequently Asked Questions

What is the IUPAC name of 1-acetamido-3-aminourea?
The IUPAC name of 1-acetamido-3-aminourea (CID 20655906) is 1-acetamido-3-aminourea.
What is the SMILES notation for 1-acetamido-3-aminourea?
The canonical SMILES for 1-acetamido-3-aminourea is CC(=O)NNC(=O)NN.
What is the InChIKey of 1-acetamido-3-aminourea?
The InChIKey is WOELNAUJYBMEIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H8N4O2/c1-2(8)6-7-3(9)5-4/h4H2,1H3,(H,6,8)(H2,5,7,9).
What are the key properties of 1-acetamido-3-aminourea?
1-acetamido-3-aminourea has a molecular weight of 132.12 g/mol, XLogP of -1.79, 0 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-acetamido-3-aminourea is sourced from PubChem (CID 20655906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).