2-amino-N-(methyliminomethyl)acetamide

C4H9N3O — CID 88990539

IUPAC2-amino-N-(methyliminomethyl)acetamide
SMILESC/N=C/NC(=O)CN
InChIInChI=1S/C4H9N3O/c1-6-3-7-4(8)2-5/h3H,2,5H2,1H3,(H,6,7,8)
InChIKeyBDRJDCCUWNHXAJ-UHFFFAOYSA-N
MW115.14 g/mol
LogP-1.28
Rot. Bonds2

About 2-amino-N-(methyliminomethyl)acetamide

2-amino-N-(methyliminomethyl)acetamide (PubChem CID 88990539) has the molecular formula C4H9N3O and a molecular weight of 115.14 g/mol. Its IUPAC name is 2-amino-N-(methyliminomethyl)acetamide.

Molecular Properties

Compound Name2-amino-N-(methyliminomethyl)acetamide
PubChem CID88990539
Molecular FormulaC4H9N3O
Molecular Weight115.14 g/mol
Exact Mass115.07
IUPAC Name2-amino-N-(methyliminomethyl)acetamide
SMILESC/N=C/NC(=O)CN
InChIInChI=1S/C4H9N3O/c1-6-3-7-4(8)2-5/h3H,2,5H2,1H3,(H,6,7,8)
InChIKeyBDRJDCCUWNHXAJ-UHFFFAOYSA-N
XLogP-1.28
TPSA67.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500115.14
LogP ≤ 5-1.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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 2-amino-N-(methyliminomethyl)acetamide?
The IUPAC name of 2-amino-N-(methyliminomethyl)acetamide (CID 88990539) is 2-amino-N-(methyliminomethyl)acetamide.
What is the SMILES notation for 2-amino-N-(methyliminomethyl)acetamide?
The canonical SMILES for 2-amino-N-(methyliminomethyl)acetamide is C/N=C/NC(=O)CN.
What is the InChIKey of 2-amino-N-(methyliminomethyl)acetamide?
The InChIKey is BDRJDCCUWNHXAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H9N3O/c1-6-3-7-4(8)2-5/h3H,2,5H2,1H3,(H,6,7,8).
What are the key properties of 2-amino-N-(methyliminomethyl)acetamide?
2-amino-N-(methyliminomethyl)acetamide has a molecular weight of 115.14 g/mol, XLogP of -1.28, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(methyliminomethyl)acetamide is sourced from PubChem (CID 88990539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).