acetamide;2-aminoethane-1,1-diol

C4H12N2O3 — CID 174289451

IUPACacetamide;2-aminoethane-1,1-diol
SMILESCC(N)=O.NCC(O)O
InChIInChI=1S/C2H7NO2.C2H5NO/c3-1-2(4)5;1-2(3)4/h2,4-5H,1,3H2;1H3,(H2,3,4)
InChIKeyZAQWERBFBWEUEW-UHFFFAOYSA-N
MW136.15 g/mol
LogP-2.25
Rot. Bonds1

About acetamide;2-aminoethane-1,1-diol

acetamide;2-aminoethane-1,1-diol (PubChem CID 174289451) has the molecular formula C4H12N2O3 and a molecular weight of 136.15 g/mol. Its IUPAC name is acetamide;2-aminoethane-1,1-diol.

Molecular Properties

Compound Nameacetamide;2-aminoethane-1,1-diol
PubChem CID174289451
Molecular FormulaC4H12N2O3
Molecular Weight136.15 g/mol
Exact Mass136.08
IUPAC Nameacetamide;2-aminoethane-1,1-diol
SMILESCC(N)=O.NCC(O)O
InChIInChI=1S/C2H7NO2.C2H5NO/c3-1-2(4)5;1-2(3)4/h2,4-5H,1,3H2;1H3,(H2,3,4)
InChIKeyZAQWERBFBWEUEW-UHFFFAOYSA-N
XLogP-2.25
TPSA109.57 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500136.15
LogP ≤ 5-2.25
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of acetamide;2-aminoethane-1,1-diol?
The IUPAC name of acetamide;2-aminoethane-1,1-diol (CID 174289451) is acetamide;2-aminoethane-1,1-diol.
What is the SMILES notation for acetamide;2-aminoethane-1,1-diol?
The canonical SMILES for acetamide;2-aminoethane-1,1-diol is CC(N)=O.NCC(O)O.
What is the InChIKey of acetamide;2-aminoethane-1,1-diol?
The InChIKey is ZAQWERBFBWEUEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H7NO2.C2H5NO/c3-1-2(4)5;1-2(3)4/h2,4-5H,1,3H2;1H3,(H2,3,4).
What are the key properties of acetamide;2-aminoethane-1,1-diol?
acetamide;2-aminoethane-1,1-diol has a molecular weight of 136.15 g/mol, XLogP of -2.25, 1 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for acetamide;2-aminoethane-1,1-diol is sourced from PubChem (CID 174289451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).