carbamimidoyl(methyl)azanium acetate

C4H11N3O2 — CID 141435217

IUPACcarbamimidoyl(methyl)azanium acetate
SMILESCC(=O)[O-].[H]/N=C(\N)[NH2+]C
InChIInChI=1S/C2H7N3.C2H4O2/c1-5-2(3)4;1-2(3)4/h1H3,(H4,3,4,5);1H3,(H,3,4)
InChIKeyWESRWUYQBCSUCT-UHFFFAOYSA-N
MW133.15 g/mol
LogP-3.17
Rot. Bonds

About carbamimidoyl(methyl)azanium acetate

carbamimidoyl(methyl)azanium acetate (PubChem CID 141435217) has the molecular formula C4H11N3O2 and a molecular weight of 133.15 g/mol. Its IUPAC name is carbamimidoyl(methyl)azanium acetate.

Molecular Properties

Compound Namecarbamimidoyl(methyl)azanium acetate
PubChem CID141435217
Molecular FormulaC4H11N3O2
Molecular Weight133.15 g/mol
Exact Mass133.09
IUPAC Namecarbamimidoyl(methyl)azanium acetate
SMILESCC(=O)[O-].[H]/N=C(\N)[NH2+]C
InChIInChI=1S/C2H7N3.C2H4O2/c1-5-2(3)4;1-2(3)4/h1H3,(H4,3,4,5);1H3,(H,3,4)
InChIKeyWESRWUYQBCSUCT-UHFFFAOYSA-N
XLogP-3.17
TPSA106.61 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500133.15
LogP ≤ 5-3.17
H-Bond Donors ≤ 53
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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Related Compounds

ethanimidamide;titanium(4+);tetraacetate
CID 158045448
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ethanimidamide;tetrakis(2-oxopropanoate);titanium(4+)
CID 158288626
amino(carbamimidoyl)azanium;2-[bis(carboxylatomethyl)amino]acetate
CID 172833650
disodium;guanidine;diacetate
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azanium;urea;acetate
CID 87930546
CID 173451444
CID 173451444
ethanimidamide;propan-2-one;vanadium
CID 159949516
ethanimidamide;propan-2-one;titanium
CID 158445220
calcium;carbamimidate;dichloride
CID 73456692
carbamimidate;palladium;dichloride
CID 102060497
cadmium(2+);ethanethioamide;diacetate
CID 174647829

Frequently Asked Questions

What is the IUPAC name of carbamimidoyl(methyl)azanium acetate?
The IUPAC name of carbamimidoyl(methyl)azanium acetate (CID 141435217) is carbamimidoyl(methyl)azanium acetate.
What is the SMILES notation for carbamimidoyl(methyl)azanium acetate?
The canonical SMILES for carbamimidoyl(methyl)azanium acetate is CC(=O)[O-].[H]/N=C(\N)[NH2+]C.
What is the InChIKey of carbamimidoyl(methyl)azanium acetate?
The InChIKey is WESRWUYQBCSUCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H7N3.C2H4O2/c1-5-2(3)4;1-2(3)4/h1H3,(H4,3,4,5);1H3,(H,3,4).
What are the key properties of carbamimidoyl(methyl)azanium acetate?
carbamimidoyl(methyl)azanium acetate has a molecular weight of 133.15 g/mol, XLogP of -3.17, 0 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for carbamimidoyl(methyl)azanium acetate is sourced from PubChem (CID 141435217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).