[(2-hydroxyacetyl)amino]cyanamide

C3H5N3O2 — CID 130126224

IUPAC[(2-hydroxyacetyl)amino]cyanamide
SMILESN#CNNC(=O)CO
InChIInChI=1S/C3H5N3O2/c4-2-5-6-3(8)1-7/h5,7H,1H2,(H,6,8)
InChIKeyYIDIKUHSSSLSFK-UHFFFAOYSA-N
MW115.09 g/mol
LogP-1.92
Rot. Bonds2

About [(2-hydroxyacetyl)amino]cyanamide

[(2-hydroxyacetyl)amino]cyanamide (PubChem CID 130126224) has the molecular formula C3H5N3O2 and a molecular weight of 115.09 g/mol. Its IUPAC name is [(2-hydroxyacetyl)amino]cyanamide.

Molecular Properties

Compound Name[(2-hydroxyacetyl)amino]cyanamide
PubChem CID130126224
Molecular FormulaC3H5N3O2
Molecular Weight115.09 g/mol
Exact Mass115.04
IUPAC Name[(2-hydroxyacetyl)amino]cyanamide
SMILESN#CNNC(=O)CO
InChIInChI=1S/C3H5N3O2/c4-2-5-6-3(8)1-7/h5,7H,1H2,(H,6,8)
InChIKeyYIDIKUHSSSLSFK-UHFFFAOYSA-N
XLogP-1.92
TPSA85.15 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500115.09
LogP ≤ 5-1.92
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cyanate_/aminonitrile_/thiocyanate', 'substructure': 'N/A'}, {'alert_name': 'enamine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [(2-hydroxyacetyl)amino]cyanamide?
The IUPAC name of [(2-hydroxyacetyl)amino]cyanamide (CID 130126224) is [(2-hydroxyacetyl)amino]cyanamide.
What is the SMILES notation for [(2-hydroxyacetyl)amino]cyanamide?
The canonical SMILES for [(2-hydroxyacetyl)amino]cyanamide is N#CNNC(=O)CO.
What is the InChIKey of [(2-hydroxyacetyl)amino]cyanamide?
The InChIKey is YIDIKUHSSSLSFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H5N3O2/c4-2-5-6-3(8)1-7/h5,7H,1H2,(H,6,8).
What are the key properties of [(2-hydroxyacetyl)amino]cyanamide?
[(2-hydroxyacetyl)amino]cyanamide has a molecular weight of 115.09 g/mol, XLogP of -1.92, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(2-hydroxyacetyl)amino]cyanamide is sourced from PubChem (CID 130126224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).