2-acetamidoethyl(hydroxy)phosphinate

C4H9NO4P- — CID 135563797

IUPAC2-acetamidoethyl(hydroxy)phosphinate
SMILESCC(=O)NCCP(=O)([O-])O
InChIInChI=1S/C4H10NO4P/c1-4(6)5-2-3-10(7,8)9/h2-3H2,1H3,(H,5,6)(H2,7,8,9)/p-1
InChIKeyACVGHZIZZPJLSQ-UHFFFAOYSA-M
MW166.09 g/mol
LogP-1.33
Rot. Bonds3

About 2-acetamidoethyl(hydroxy)phosphinate

2-acetamidoethyl(hydroxy)phosphinate (PubChem CID 135563797) has the molecular formula C4H9NO4P- and a molecular weight of 166.09 g/mol. Its IUPAC name is 2-acetamidoethyl(hydroxy)phosphinate.

Molecular Properties

Compound Name2-acetamidoethyl(hydroxy)phosphinate
PubChem CID135563797
Molecular FormulaC4H9NO4P-
Molecular Weight166.09 g/mol
Exact Mass166.03
IUPAC Name2-acetamidoethyl(hydroxy)phosphinate
SMILESCC(=O)NCCP(=O)([O-])O
InChIInChI=1S/C4H10NO4P/c1-4(6)5-2-3-10(7,8)9/h2-3H2,1H3,(H,5,6)(H2,7,8,9)/p-1
InChIKeyACVGHZIZZPJLSQ-UHFFFAOYSA-M
XLogP-1.33
TPSA89.46 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.09
LogP ≤ 5-1.33
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 2-acetamidoethyl(hydroxy)phosphinate?
The IUPAC name of 2-acetamidoethyl(hydroxy)phosphinate (CID 135563797) is 2-acetamidoethyl(hydroxy)phosphinate.
What is the SMILES notation for 2-acetamidoethyl(hydroxy)phosphinate?
The canonical SMILES for 2-acetamidoethyl(hydroxy)phosphinate is CC(=O)NCCP(=O)([O-])O.
What is the InChIKey of 2-acetamidoethyl(hydroxy)phosphinate?
The InChIKey is ACVGHZIZZPJLSQ-UHFFFAOYSA-M. The full InChI is InChI=1S/C4H10NO4P/c1-4(6)5-2-3-10(7,8)9/h2-3H2,1H3,(H,5,6)(H2,7,8,9)/p-1.
What are the key properties of 2-acetamidoethyl(hydroxy)phosphinate?
2-acetamidoethyl(hydroxy)phosphinate has a molecular weight of 166.09 g/mol, XLogP of -1.33, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-acetamidoethyl(hydroxy)phosphinate is sourced from PubChem (CID 135563797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).