ethoxy-(2-methylazepan-2-yl)phosphinic acid

C9H20NO3P — CID 122413249

IUPACethoxy-(2-methylazepan-2-yl)phosphinic acid
SMILESCCOP(=O)(O)C1(C)CCCCCN1
InChIInChI=1S/C9H20NO3P/c1-3-13-14(11,12)9(2)7-5-4-6-8-10-9/h10H,3-8H2,1-2H3,(H,11,12)
InChIKeyKNSUZMXGPHEOQW-UHFFFAOYSA-N
MW221.24 g/mol
LogP2.09
Rot. Bonds3

About ethoxy-(2-methylazepan-2-yl)phosphinic acid

ethoxy-(2-methylazepan-2-yl)phosphinic acid (PubChem CID 122413249) has the molecular formula C9H20NO3P and a molecular weight of 221.24 g/mol. Its IUPAC name is ethoxy-(2-methylazepan-2-yl)phosphinic acid.

Molecular Properties

Compound Nameethoxy-(2-methylazepan-2-yl)phosphinic acid
PubChem CID122413249
Molecular FormulaC9H20NO3P
Molecular Weight221.24 g/mol
Exact Mass221.12
IUPAC Nameethoxy-(2-methylazepan-2-yl)phosphinic acid
SMILESCCOP(=O)(O)C1(C)CCCCCN1
InChIInChI=1S/C9H20NO3P/c1-3-13-14(11,12)9(2)7-5-4-6-8-10-9/h10H,3-8H2,1-2H3,(H,11,12)
InChIKeyKNSUZMXGPHEOQW-UHFFFAOYSA-N
XLogP2.09
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.24
LogP ≤ 52.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phosphor', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of ethoxy-(2-methylazepan-2-yl)phosphinic acid?
The IUPAC name of ethoxy-(2-methylazepan-2-yl)phosphinic acid (CID 122413249) is ethoxy-(2-methylazepan-2-yl)phosphinic acid.
What is the SMILES notation for ethoxy-(2-methylazepan-2-yl)phosphinic acid?
The canonical SMILES for ethoxy-(2-methylazepan-2-yl)phosphinic acid is CCOP(=O)(O)C1(C)CCCCCN1.
What is the InChIKey of ethoxy-(2-methylazepan-2-yl)phosphinic acid?
The InChIKey is KNSUZMXGPHEOQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20NO3P/c1-3-13-14(11,12)9(2)7-5-4-6-8-10-9/h10H,3-8H2,1-2H3,(H,11,12).
What are the key properties of ethoxy-(2-methylazepan-2-yl)phosphinic acid?
ethoxy-(2-methylazepan-2-yl)phosphinic acid has a molecular weight of 221.24 g/mol, XLogP of 2.09, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethoxy-(2-methylazepan-2-yl)phosphinic acid is sourced from PubChem (CID 122413249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).