ethoxy-[(E)-N-hydroxy-C-methylcarbonimidoyl]phosphinic acid

C4H10NO4P — CID 23418934

IUPACethoxy-[(E)-N-hydroxy-C-methylcarbonimidoyl]phosphinic acid
SMILESCCOP(=O)(O)/C(C)=N/O
InChIInChI=1S/C4H10NO4P/c1-3-9-10(7,8)4(2)5-6/h6H,3H2,1-2H3,(H,7,8)/b5-4+
InChIKeyAJLRJRDTTCBQIQ-SNAWJCMRSA-N
MW167.10 g/mol
LogP1.02
Rot. Bonds3

About ethoxy-[(E)-N-hydroxy-C-methylcarbonimidoyl]phosphinic acid

ethoxy-[(E)-N-hydroxy-C-methylcarbonimidoyl]phosphinic acid (PubChem CID 23418934) has the molecular formula C4H10NO4P and a molecular weight of 167.10 g/mol. Its IUPAC name is ethoxy-[(E)-N-hydroxy-C-methylcarbonimidoyl]phosphinic acid.

Molecular Properties

Compound Nameethoxy-[(E)-N-hydroxy-C-methylcarbonimidoyl]phosphinic acid
PubChem CID23418934
Molecular FormulaC4H10NO4P
Molecular Weight167.10 g/mol
Exact Mass167.03
IUPAC Nameethoxy-[(E)-N-hydroxy-C-methylcarbonimidoyl]phosphinic acid
SMILESCCOP(=O)(O)/C(C)=N/O
InChIInChI=1S/C4H10NO4P/c1-3-9-10(7,8)4(2)5-6/h6H,3H2,1-2H3,(H,7,8)/b5-4+
InChIKeyAJLRJRDTTCBQIQ-SNAWJCMRSA-N
XLogP1.02
TPSA79.12 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.10
LogP ≤ 51.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of ethoxy-[(E)-N-hydroxy-C-methylcarbonimidoyl]phosphinic acid?
The IUPAC name of ethoxy-[(E)-N-hydroxy-C-methylcarbonimidoyl]phosphinic acid (CID 23418934) is ethoxy-[(E)-N-hydroxy-C-methylcarbonimidoyl]phosphinic acid.
What is the SMILES notation for ethoxy-[(E)-N-hydroxy-C-methylcarbonimidoyl]phosphinic acid?
The canonical SMILES for ethoxy-[(E)-N-hydroxy-C-methylcarbonimidoyl]phosphinic acid is CCOP(=O)(O)/C(C)=N/O.
What is the InChIKey of ethoxy-[(E)-N-hydroxy-C-methylcarbonimidoyl]phosphinic acid?
The InChIKey is AJLRJRDTTCBQIQ-SNAWJCMRSA-N. The full InChI is InChI=1S/C4H10NO4P/c1-3-9-10(7,8)4(2)5-6/h6H,3H2,1-2H3,(H,7,8)/b5-4+.
What are the key properties of ethoxy-[(E)-N-hydroxy-C-methylcarbonimidoyl]phosphinic acid?
ethoxy-[(E)-N-hydroxy-C-methylcarbonimidoyl]phosphinic acid has a molecular weight of 167.10 g/mol, XLogP of 1.02, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethoxy-[(E)-N-hydroxy-C-methylcarbonimidoyl]phosphinic acid is sourced from PubChem (CID 23418934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).