2-hydroxy-2-methoxy-2-nitroacetamide

C3H6N2O5 — CID 151686518

IUPAC2-hydroxy-2-methoxy-2-nitroacetamide
SMILESCOC(O)(C(N)=O)[N+](=O)[O-]
InChIInChI=1S/C3H6N2O5/c1-10-3(7,2(4)6)5(8)9/h7H,1H3,(H2,4,6)
InChIKeyRBQSCEILYCFBBM-UHFFFAOYSA-N
MW150.09 g/mol
LogP-1.96
Rot. Bonds3

About 2-hydroxy-2-methoxy-2-nitroacetamide

2-hydroxy-2-methoxy-2-nitroacetamide (PubChem CID 151686518) has the molecular formula C3H6N2O5 and a molecular weight of 150.09 g/mol. Its IUPAC name is 2-hydroxy-2-methoxy-2-nitroacetamide.

Molecular Properties

Compound Name2-hydroxy-2-methoxy-2-nitroacetamide
PubChem CID151686518
Molecular FormulaC3H6N2O5
Molecular Weight150.09 g/mol
Exact Mass150.03
IUPAC Name2-hydroxy-2-methoxy-2-nitroacetamide
SMILESCOC(O)(C(N)=O)[N+](=O)[O-]
InChIInChI=1S/C3H6N2O5/c1-10-3(7,2(4)6)5(8)9/h7H,1H3,(H2,4,6)
InChIKeyRBQSCEILYCFBBM-UHFFFAOYSA-N
XLogP-1.96
TPSA115.69 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.09
LogP ≤ 5-1.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-2-methoxy-2-nitroacetamide?
The IUPAC name of 2-hydroxy-2-methoxy-2-nitroacetamide (CID 151686518) is 2-hydroxy-2-methoxy-2-nitroacetamide.
What is the SMILES notation for 2-hydroxy-2-methoxy-2-nitroacetamide?
The canonical SMILES for 2-hydroxy-2-methoxy-2-nitroacetamide is COC(O)(C(N)=O)[N+](=O)[O-].
What is the InChIKey of 2-hydroxy-2-methoxy-2-nitroacetamide?
The InChIKey is RBQSCEILYCFBBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H6N2O5/c1-10-3(7,2(4)6)5(8)9/h7H,1H3,(H2,4,6).
What are the key properties of 2-hydroxy-2-methoxy-2-nitroacetamide?
2-hydroxy-2-methoxy-2-nitroacetamide has a molecular weight of 150.09 g/mol, XLogP of -1.96, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-2-methoxy-2-nitroacetamide is sourced from PubChem (CID 151686518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).