N-(dihydroxymethyl)-2-hydroxy-N-(methylcarbamoyl)acetamide

C5H10N2O5 — CID 174895029

IUPACN-(dihydroxymethyl)-2-hydroxy-N-(methylcarbamoyl)acetamide
SMILESCNC(=O)N(C(=O)CO)C(O)O
InChIInChI=1S/C5H10N2O5/c1-6-4(10)7(5(11)12)3(9)2-8/h5,8,11-12H,2H2,1H3,(H,6,10)
InChIKeyKKBIXRCNDHDJOI-UHFFFAOYSA-N
MW178.14 g/mol
LogP-2.59
Rot. Bonds2

About N-(dihydroxymethyl)-2-hydroxy-N-(methylcarbamoyl)acetamide

N-(dihydroxymethyl)-2-hydroxy-N-(methylcarbamoyl)acetamide (PubChem CID 174895029) has the molecular formula C5H10N2O5 and a molecular weight of 178.14 g/mol. Its IUPAC name is N-(dihydroxymethyl)-2-hydroxy-N-(methylcarbamoyl)acetamide.

Molecular Properties

Compound NameN-(dihydroxymethyl)-2-hydroxy-N-(methylcarbamoyl)acetamide
PubChem CID174895029
Molecular FormulaC5H10N2O5
Molecular Weight178.14 g/mol
Exact Mass178.06
IUPAC NameN-(dihydroxymethyl)-2-hydroxy-N-(methylcarbamoyl)acetamide
SMILESCNC(=O)N(C(=O)CO)C(O)O
InChIInChI=1S/C5H10N2O5/c1-6-4(10)7(5(11)12)3(9)2-8/h5,8,11-12H,2H2,1H3,(H,6,10)
InChIKeyKKBIXRCNDHDJOI-UHFFFAOYSA-N
XLogP-2.59
TPSA110.10 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.14
LogP ≤ 5-2.59
H-Bond Donors ≤ 54
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-(dihydroxymethyl)-2-hydroxy-N-(methylcarbamoyl)acetamide?
The IUPAC name of N-(dihydroxymethyl)-2-hydroxy-N-(methylcarbamoyl)acetamide (CID 174895029) is N-(dihydroxymethyl)-2-hydroxy-N-(methylcarbamoyl)acetamide.
What is the SMILES notation for N-(dihydroxymethyl)-2-hydroxy-N-(methylcarbamoyl)acetamide?
The canonical SMILES for N-(dihydroxymethyl)-2-hydroxy-N-(methylcarbamoyl)acetamide is CNC(=O)N(C(=O)CO)C(O)O.
What is the InChIKey of N-(dihydroxymethyl)-2-hydroxy-N-(methylcarbamoyl)acetamide?
The InChIKey is KKBIXRCNDHDJOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10N2O5/c1-6-4(10)7(5(11)12)3(9)2-8/h5,8,11-12H,2H2,1H3,(H,6,10).
What are the key properties of N-(dihydroxymethyl)-2-hydroxy-N-(methylcarbamoyl)acetamide?
N-(dihydroxymethyl)-2-hydroxy-N-(methylcarbamoyl)acetamide has a molecular weight of 178.14 g/mol, XLogP of -2.59, 2 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(dihydroxymethyl)-2-hydroxy-N-(methylcarbamoyl)acetamide is sourced from PubChem (CID 174895029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).