2-(dibromophosphanylmethylamino)acetic acid

C3H6Br2NO2P — CID 57216861

IUPAC2-(dibromophosphanylmethylamino)acetic acid
SMILESO=C(O)CNCP(Br)Br
InChIInChI=1S/C3H6Br2NO2P/c4-9(5)2-6-1-3(7)8/h6H,1-2H2,(H,7,8)
InChIKeyPONNFTDXPMIYAF-UHFFFAOYSA-N
MW278.87 g/mol
LogP1.72
Rot. Bonds4

About 2-(dibromophosphanylmethylamino)acetic acid

2-(dibromophosphanylmethylamino)acetic acid (PubChem CID 57216861) has the molecular formula C3H6Br2NO2P and a molecular weight of 278.87 g/mol. Its IUPAC name is 2-(dibromophosphanylmethylamino)acetic acid.

Molecular Properties

Compound Name2-(dibromophosphanylmethylamino)acetic acid
PubChem CID57216861
Molecular FormulaC3H6Br2NO2P
Molecular Weight278.87 g/mol
Exact Mass276.85
IUPAC Name2-(dibromophosphanylmethylamino)acetic acid
SMILESO=C(O)CNCP(Br)Br
InChIInChI=1S/C3H6Br2NO2P/c4-9(5)2-6-1-3(7)8/h6H,1-2H2,(H,7,8)
InChIKeyPONNFTDXPMIYAF-UHFFFAOYSA-N
XLogP1.72
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.87
LogP ≤ 51.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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-(dibromophosphanylmethylamino)acetic acid?
The IUPAC name of 2-(dibromophosphanylmethylamino)acetic acid (CID 57216861) is 2-(dibromophosphanylmethylamino)acetic acid.
What is the SMILES notation for 2-(dibromophosphanylmethylamino)acetic acid?
The canonical SMILES for 2-(dibromophosphanylmethylamino)acetic acid is O=C(O)CNCP(Br)Br.
What is the InChIKey of 2-(dibromophosphanylmethylamino)acetic acid?
The InChIKey is PONNFTDXPMIYAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H6Br2NO2P/c4-9(5)2-6-1-3(7)8/h6H,1-2H2,(H,7,8).
What are the key properties of 2-(dibromophosphanylmethylamino)acetic acid?
2-(dibromophosphanylmethylamino)acetic acid has a molecular weight of 278.87 g/mol, XLogP of 1.72, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(dibromophosphanylmethylamino)acetic acid is sourced from PubChem (CID 57216861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).