N-carbamoyl-2-hydroxyacetamide;2-hydroxyacetonitrile

C5H9N3O4 — CID 162118719

IUPACN-carbamoyl-2-hydroxyacetamide;2-hydroxyacetonitrile
SMILESN#CCO.NC(=O)NC(=O)CO
InChIInChI=1S/C3H6N2O3.C2H3NO/c4-3(8)5-2(7)1-6;3-1-2-4/h6H,1H2,(H3,4,5,7,8);4H,2H2
InChIKeyZHCSLJMBECYHFD-UHFFFAOYSA-N
MW175.14 g/mol
LogP-2.32
Rot. Bonds1

About N-carbamoyl-2-hydroxyacetamide;2-hydroxyacetonitrile

N-carbamoyl-2-hydroxyacetamide;2-hydroxyacetonitrile (PubChem CID 162118719) has the molecular formula C5H9N3O4 and a molecular weight of 175.14 g/mol. Its IUPAC name is N-carbamoyl-2-hydroxyacetamide;2-hydroxyacetonitrile.

Molecular Properties

Compound NameN-carbamoyl-2-hydroxyacetamide;2-hydroxyacetonitrile
PubChem CID162118719
Molecular FormulaC5H9N3O4
Molecular Weight175.14 g/mol
Exact Mass175.06
IUPAC NameN-carbamoyl-2-hydroxyacetamide;2-hydroxyacetonitrile
SMILESN#CCO.NC(=O)NC(=O)CO
InChIInChI=1S/C3H6N2O3.C2H3NO/c4-3(8)5-2(7)1-6;3-1-2-4/h6H,1H2,(H3,4,5,7,8);4H,2H2
InChIKeyZHCSLJMBECYHFD-UHFFFAOYSA-N
XLogP-2.32
TPSA136.44 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.14
LogP ≤ 5-2.32
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-carbamoyl-2-hydroxyacetamide;2-hydroxyacetonitrile?
The IUPAC name of N-carbamoyl-2-hydroxyacetamide;2-hydroxyacetonitrile (CID 162118719) is N-carbamoyl-2-hydroxyacetamide;2-hydroxyacetonitrile.
What is the SMILES notation for N-carbamoyl-2-hydroxyacetamide;2-hydroxyacetonitrile?
The canonical SMILES for N-carbamoyl-2-hydroxyacetamide;2-hydroxyacetonitrile is N#CCO.NC(=O)NC(=O)CO.
What is the InChIKey of N-carbamoyl-2-hydroxyacetamide;2-hydroxyacetonitrile?
The InChIKey is ZHCSLJMBECYHFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H6N2O3.C2H3NO/c4-3(8)5-2(7)1-6;3-1-2-4/h6H,1H2,(H3,4,5,7,8);4H,2H2.
What are the key properties of N-carbamoyl-2-hydroxyacetamide;2-hydroxyacetonitrile?
N-carbamoyl-2-hydroxyacetamide;2-hydroxyacetonitrile has a molecular weight of 175.14 g/mol, XLogP of -2.32, 1 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-carbamoyl-2-hydroxyacetamide;2-hydroxyacetonitrile is sourced from PubChem (CID 162118719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).