2-(diiodophosphanylmethylamino)acetic acid

C3H6I2NO2P — CID 57157585

IUPAC2-(diiodophosphanylmethylamino)acetic acid
SMILESO=C(O)CNCP(I)I
InChIInChI=1S/C3H6I2NO2P/c4-9(5)2-6-1-3(7)8/h6H,1-2H2,(H,7,8)
InChIKeyZUMALKDVYQCKNK-UHFFFAOYSA-N
MW372.87 g/mol
LogP1.80
Rot. Bonds4

About 2-(diiodophosphanylmethylamino)acetic acid

2-(diiodophosphanylmethylamino)acetic acid (PubChem CID 57157585) has the molecular formula C3H6I2NO2P and a molecular weight of 372.87 g/mol. Its IUPAC name is 2-(diiodophosphanylmethylamino)acetic acid.

Molecular Properties

Compound Name2-(diiodophosphanylmethylamino)acetic acid
PubChem CID57157585
Molecular FormulaC3H6I2NO2P
Molecular Weight372.87 g/mol
Exact Mass372.82
IUPAC Name2-(diiodophosphanylmethylamino)acetic acid
SMILESO=C(O)CNCP(I)I
InChIInChI=1S/C3H6I2NO2P/c4-9(5)2-6-1-3(7)8/h6H,1-2H2,(H,7,8)
InChIKeyZUMALKDVYQCKNK-UHFFFAOYSA-N
XLogP1.80
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.87
LogP ≤ 51.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(diiodophosphanylmethylamino)acetic acid?
The IUPAC name of 2-(diiodophosphanylmethylamino)acetic acid (CID 57157585) is 2-(diiodophosphanylmethylamino)acetic acid.
What is the SMILES notation for 2-(diiodophosphanylmethylamino)acetic acid?
The canonical SMILES for 2-(diiodophosphanylmethylamino)acetic acid is O=C(O)CNCP(I)I.
What is the InChIKey of 2-(diiodophosphanylmethylamino)acetic acid?
The InChIKey is ZUMALKDVYQCKNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H6I2NO2P/c4-9(5)2-6-1-3(7)8/h6H,1-2H2,(H,7,8).
What are the key properties of 2-(diiodophosphanylmethylamino)acetic acid?
2-(diiodophosphanylmethylamino)acetic acid has a molecular weight of 372.87 g/mol, XLogP of 1.80, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(diiodophosphanylmethylamino)acetic acid is sourced from PubChem (CID 57157585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).