N-[(E)-N'-carbamoylcarbamimidoyl]acetamide

C4H8N4O2 — CID 55288971

IUPACN-[(E)-N'-carbamoylcarbamimidoyl]acetamide
SMILESCC(=O)N/C(N)=N/C(N)=O
InChIInChI=1S/C4H8N4O2/c1-2(9)7-3(5)8-4(6)10/h1H3,(H5,5,6,7,8,9,10)
InChIKeyCWBDOTPDHRSPNI-UHFFFAOYSA-N
MW144.13 g/mol
LogP-1.48
Rot. Bonds

About N-[(E)-N'-carbamoylcarbamimidoyl]acetamide

N-[(E)-N'-carbamoylcarbamimidoyl]acetamide (PubChem CID 55288971) has the molecular formula C4H8N4O2 and a molecular weight of 144.13 g/mol. Its IUPAC name is N-[(E)-N'-carbamoylcarbamimidoyl]acetamide.

Molecular Properties

Compound NameN-[(E)-N'-carbamoylcarbamimidoyl]acetamide
PubChem CID55288971
Molecular FormulaC4H8N4O2
Molecular Weight144.13 g/mol
Exact Mass144.06
IUPAC NameN-[(E)-N'-carbamoylcarbamimidoyl]acetamide
SMILESCC(=O)N/C(N)=N/C(N)=O
InChIInChI=1S/C4H8N4O2/c1-2(9)7-3(5)8-4(6)10/h1H3,(H5,5,6,7,8,9,10)
InChIKeyCWBDOTPDHRSPNI-UHFFFAOYSA-N
XLogP-1.48
TPSA110.57 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500144.13
LogP ≤ 5-1.48
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[(E)-N'-carbamoylcarbamimidoyl]acetamide?
The IUPAC name of N-[(E)-N'-carbamoylcarbamimidoyl]acetamide (CID 55288971) is N-[(E)-N'-carbamoylcarbamimidoyl]acetamide.
What is the SMILES notation for N-[(E)-N'-carbamoylcarbamimidoyl]acetamide?
The canonical SMILES for N-[(E)-N'-carbamoylcarbamimidoyl]acetamide is CC(=O)N/C(N)=N/C(N)=O.
What is the InChIKey of N-[(E)-N'-carbamoylcarbamimidoyl]acetamide?
The InChIKey is CWBDOTPDHRSPNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H8N4O2/c1-2(9)7-3(5)8-4(6)10/h1H3,(H5,5,6,7,8,9,10).
What are the key properties of N-[(E)-N'-carbamoylcarbamimidoyl]acetamide?
N-[(E)-N'-carbamoylcarbamimidoyl]acetamide has a molecular weight of 144.13 g/mol, XLogP of -1.48, 0 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-N'-carbamoylcarbamimidoyl]acetamide is sourced from PubChem (CID 55288971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).