N-(N'-acetylcarbamimidoyl)acetamide

C5H9N3O2 — CID 18758785

IUPACN-(N'-acetylcarbamimidoyl)acetamide
SMILESCC(=O)/N=C(\N)NC(C)=O
InChIInChI=1S/C5H9N3O2/c1-3(9)7-5(6)8-4(2)10/h1-2H3,(H3,6,7,8,9,10)
InChIKeyJNLYJTIJWMFCCQ-UHFFFAOYSA-N
MW143.15 g/mol
LogP-1.02
Rot. Bonds

About N-(N'-acetylcarbamimidoyl)acetamide

N-(N'-acetylcarbamimidoyl)acetamide (PubChem CID 18758785) has the molecular formula C5H9N3O2 and a molecular weight of 143.15 g/mol. Its IUPAC name is N-(N'-acetylcarbamimidoyl)acetamide.

Molecular Properties

Compound NameN-(N'-acetylcarbamimidoyl)acetamide
PubChem CID18758785
Molecular FormulaC5H9N3O2
Molecular Weight143.15 g/mol
Exact Mass143.07
IUPAC NameN-(N'-acetylcarbamimidoyl)acetamide
SMILESCC(=O)/N=C(\N)NC(C)=O
InChIInChI=1S/C5H9N3O2/c1-3(9)7-5(6)8-4(2)10/h1-2H3,(H3,6,7,8,9,10)
InChIKeyJNLYJTIJWMFCCQ-UHFFFAOYSA-N
XLogP-1.02
TPSA84.55 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500143.15
LogP ≤ 5-1.02
H-Bond Donors ≤ 52
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-(N'-acetylcarbamimidoyl)acetamide?
The IUPAC name of N-(N'-acetylcarbamimidoyl)acetamide (CID 18758785) is N-(N'-acetylcarbamimidoyl)acetamide.
What is the SMILES notation for N-(N'-acetylcarbamimidoyl)acetamide?
The canonical SMILES for N-(N'-acetylcarbamimidoyl)acetamide is CC(=O)/N=C(\N)NC(C)=O.
What is the InChIKey of N-(N'-acetylcarbamimidoyl)acetamide?
The InChIKey is JNLYJTIJWMFCCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9N3O2/c1-3(9)7-5(6)8-4(2)10/h1-2H3,(H3,6,7,8,9,10).
What are the key properties of N-(N'-acetylcarbamimidoyl)acetamide?
N-(N'-acetylcarbamimidoyl)acetamide has a molecular weight of 143.15 g/mol, XLogP of -1.02, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(N'-acetylcarbamimidoyl)acetamide is sourced from PubChem (CID 18758785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).