[(1S)-1-acetamidoethyl]-hydroxyphosphinate

C4H9NO4P- — CID 123132018

IUPAC[(1S)-1-acetamidoethyl]-hydroxyphosphinate
SMILESCC(=O)N[C@H](C)P(=O)([O-])O
InChIInChI=1S/C4H10NO4P/c1-3(6)5-4(2)10(7,8)9/h4H,1-2H3,(H,5,6)(H2,7,8,9)/p-1/t4-/m0/s1
InChIKeyOWNNFWRGXJDEEX-BYPYZUCNSA-M
MW166.09 g/mol
LogP-0.99
Rot. Bonds2

About [(1S)-1-acetamidoethyl]-hydroxyphosphinate

[(1S)-1-acetamidoethyl]-hydroxyphosphinate (PubChem CID 123132018) has the molecular formula C4H9NO4P- and a molecular weight of 166.09 g/mol. Its IUPAC name is [(1S)-1-acetamidoethyl]-hydroxyphosphinate.

Molecular Properties

Compound Name[(1S)-1-acetamidoethyl]-hydroxyphosphinate
PubChem CID123132018
Molecular FormulaC4H9NO4P-
Molecular Weight166.09 g/mol
Exact Mass166.03
IUPAC Name[(1S)-1-acetamidoethyl]-hydroxyphosphinate
SMILESCC(=O)N[C@H](C)P(=O)([O-])O
InChIInChI=1S/C4H10NO4P/c1-3(6)5-4(2)10(7,8)9/h4H,1-2H3,(H,5,6)(H2,7,8,9)/p-1/t4-/m0/s1
InChIKeyOWNNFWRGXJDEEX-BYPYZUCNSA-M
XLogP-0.99
TPSA89.46 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.09
LogP ≤ 5-0.99
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 [(1S)-1-acetamidoethyl]-hydroxyphosphinate?
The IUPAC name of [(1S)-1-acetamidoethyl]-hydroxyphosphinate (CID 123132018) is [(1S)-1-acetamidoethyl]-hydroxyphosphinate.
What is the SMILES notation for [(1S)-1-acetamidoethyl]-hydroxyphosphinate?
The canonical SMILES for [(1S)-1-acetamidoethyl]-hydroxyphosphinate is CC(=O)N[C@H](C)P(=O)([O-])O.
What is the InChIKey of [(1S)-1-acetamidoethyl]-hydroxyphosphinate?
The InChIKey is OWNNFWRGXJDEEX-BYPYZUCNSA-M. The full InChI is InChI=1S/C4H10NO4P/c1-3(6)5-4(2)10(7,8)9/h4H,1-2H3,(H,5,6)(H2,7,8,9)/p-1/t4-/m0/s1.
What are the key properties of [(1S)-1-acetamidoethyl]-hydroxyphosphinate?
[(1S)-1-acetamidoethyl]-hydroxyphosphinate has a molecular weight of 166.09 g/mol, XLogP of -0.99, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(1S)-1-acetamidoethyl]-hydroxyphosphinate is sourced from PubChem (CID 123132018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).