2-(2-amino-1,1-dihydroxy-2-oxoethoxy)-2,2-dihydroxyacetamide

C4H8N2O7 — CID 146018400

IUPAC2-(2-amino-1,1-dihydroxy-2-oxoethoxy)-2,2-dihydroxyacetamide
SMILESNC(=O)C(O)(O)OC(O)(O)C(N)=O
InChIInChI=1S/C4H8N2O7/c5-1(7)3(9,10)13-4(11,12)2(6)8/h9-12H,(H2,5,7)(H2,6,8)
InChIKeyBXZVWKXOAIJWLO-UHFFFAOYSA-N
MW196.11 g/mol
LogP-4.75
Rot. Bonds4

About 2-(2-amino-1,1-dihydroxy-2-oxoethoxy)-2,2-dihydroxyacetamide

2-(2-amino-1,1-dihydroxy-2-oxoethoxy)-2,2-dihydroxyacetamide (PubChem CID 146018400) has the molecular formula C4H8N2O7 and a molecular weight of 196.11 g/mol. Its IUPAC name is 2-(2-amino-1,1-dihydroxy-2-oxoethoxy)-2,2-dihydroxyacetamide.

Molecular Properties

Compound Name2-(2-amino-1,1-dihydroxy-2-oxoethoxy)-2,2-dihydroxyacetamide
PubChem CID146018400
Molecular FormulaC4H8N2O7
Molecular Weight196.11 g/mol
Exact Mass196.03
IUPAC Name2-(2-amino-1,1-dihydroxy-2-oxoethoxy)-2,2-dihydroxyacetamide
SMILESNC(=O)C(O)(O)OC(O)(O)C(N)=O
InChIInChI=1S/C4H8N2O7/c5-1(7)3(9,10)13-4(11,12)2(6)8/h9-12H,(H2,5,7)(H2,6,8)
InChIKeyBXZVWKXOAIJWLO-UHFFFAOYSA-N
XLogP-4.75
TPSA176.33 Ų
H-Bond Donors6
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500196.11
LogP ≤ 5-4.75
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 107

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 2-(2-amino-1,1-dihydroxy-2-oxoethoxy)-2,2-dihydroxyacetamide?
The IUPAC name of 2-(2-amino-1,1-dihydroxy-2-oxoethoxy)-2,2-dihydroxyacetamide (CID 146018400) is 2-(2-amino-1,1-dihydroxy-2-oxoethoxy)-2,2-dihydroxyacetamide.
What is the SMILES notation for 2-(2-amino-1,1-dihydroxy-2-oxoethoxy)-2,2-dihydroxyacetamide?
The canonical SMILES for 2-(2-amino-1,1-dihydroxy-2-oxoethoxy)-2,2-dihydroxyacetamide is NC(=O)C(O)(O)OC(O)(O)C(N)=O.
What is the InChIKey of 2-(2-amino-1,1-dihydroxy-2-oxoethoxy)-2,2-dihydroxyacetamide?
The InChIKey is BXZVWKXOAIJWLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H8N2O7/c5-1(7)3(9,10)13-4(11,12)2(6)8/h9-12H,(H2,5,7)(H2,6,8).
What are the key properties of 2-(2-amino-1,1-dihydroxy-2-oxoethoxy)-2,2-dihydroxyacetamide?
2-(2-amino-1,1-dihydroxy-2-oxoethoxy)-2,2-dihydroxyacetamide has a molecular weight of 196.11 g/mol, XLogP of -4.75, 4 rotatable bonds, 6 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-amino-1,1-dihydroxy-2-oxoethoxy)-2,2-dihydroxyacetamide is sourced from PubChem (CID 146018400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).