N-(dihydroxymethylcarbamoyl)-2-hydroxyacetamide

C4H8N2O5 — CID 141010721

IUPACN-(dihydroxymethylcarbamoyl)-2-hydroxyacetamide
SMILESO=C(CO)NC(=O)NC(O)O
InChIInChI=1S/C4H8N2O5/c7-1-2(8)5-3(9)6-4(10)11/h4,7,10-11H,1H2,(H2,5,6,8,9)
InChIKeyPBRDVKIOQQHMMS-UHFFFAOYSA-N
MW164.12 g/mol
LogP-2.93
Rot. Bonds2

About N-(dihydroxymethylcarbamoyl)-2-hydroxyacetamide

N-(dihydroxymethylcarbamoyl)-2-hydroxyacetamide (PubChem CID 141010721) has the molecular formula C4H8N2O5 and a molecular weight of 164.12 g/mol. Its IUPAC name is N-(dihydroxymethylcarbamoyl)-2-hydroxyacetamide.

Molecular Properties

Compound NameN-(dihydroxymethylcarbamoyl)-2-hydroxyacetamide
PubChem CID141010721
Molecular FormulaC4H8N2O5
Molecular Weight164.12 g/mol
Exact Mass164.04
IUPAC NameN-(dihydroxymethylcarbamoyl)-2-hydroxyacetamide
SMILESO=C(CO)NC(=O)NC(O)O
InChIInChI=1S/C4H8N2O5/c7-1-2(8)5-3(9)6-4(10)11/h4,7,10-11H,1H2,(H2,5,6,8,9)
InChIKeyPBRDVKIOQQHMMS-UHFFFAOYSA-N
XLogP-2.93
TPSA118.89 Ų
H-Bond Donors5
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.12
LogP ≤ 5-2.93
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(dihydroxymethylcarbamoyl)-2-hydroxyacetamide?
The IUPAC name of N-(dihydroxymethylcarbamoyl)-2-hydroxyacetamide (CID 141010721) is N-(dihydroxymethylcarbamoyl)-2-hydroxyacetamide.
What is the SMILES notation for N-(dihydroxymethylcarbamoyl)-2-hydroxyacetamide?
The canonical SMILES for N-(dihydroxymethylcarbamoyl)-2-hydroxyacetamide is O=C(CO)NC(=O)NC(O)O.
What is the InChIKey of N-(dihydroxymethylcarbamoyl)-2-hydroxyacetamide?
The InChIKey is PBRDVKIOQQHMMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H8N2O5/c7-1-2(8)5-3(9)6-4(10)11/h4,7,10-11H,1H2,(H2,5,6,8,9).
What are the key properties of N-(dihydroxymethylcarbamoyl)-2-hydroxyacetamide?
N-(dihydroxymethylcarbamoyl)-2-hydroxyacetamide has a molecular weight of 164.12 g/mol, XLogP of -2.93, 2 rotatable bonds, 5 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(dihydroxymethylcarbamoyl)-2-hydroxyacetamide is sourced from PubChem (CID 141010721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).