2-(dichlorophosphanylmethylamino)acetic acid

C3H6Cl2NO2P — CID 57018340

IUPAC2-(dichlorophosphanylmethylamino)acetic acid
SMILESO=C(O)CNCP(Cl)Cl
InChIInChI=1S/C3H6Cl2NO2P/c4-9(5)2-6-1-3(7)8/h6H,1-2H2,(H,7,8)
InChIKeyCHCQNUCMZKXOCN-UHFFFAOYSA-N
MW189.97 g/mol
LogP1.41
Rot. Bonds4

About 2-(dichlorophosphanylmethylamino)acetic acid

2-(dichlorophosphanylmethylamino)acetic acid (PubChem CID 57018340) has the molecular formula C3H6Cl2NO2P and a molecular weight of 189.97 g/mol. Its IUPAC name is 2-(dichlorophosphanylmethylamino)acetic acid.

Molecular Properties

Compound Name2-(dichlorophosphanylmethylamino)acetic acid
PubChem CID57018340
Molecular FormulaC3H6Cl2NO2P
Molecular Weight189.97 g/mol
Exact Mass188.95
IUPAC Name2-(dichlorophosphanylmethylamino)acetic acid
SMILESO=C(O)CNCP(Cl)Cl
InChIInChI=1S/C3H6Cl2NO2P/c4-9(5)2-6-1-3(7)8/h6H,1-2H2,(H,7,8)
InChIKeyCHCQNUCMZKXOCN-UHFFFAOYSA-N
XLogP1.41
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.97
LogP ≤ 51.41
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-(dichlorophosphanylmethylamino)acetic acid?
The IUPAC name of 2-(dichlorophosphanylmethylamino)acetic acid (CID 57018340) is 2-(dichlorophosphanylmethylamino)acetic acid.
What is the SMILES notation for 2-(dichlorophosphanylmethylamino)acetic acid?
The canonical SMILES for 2-(dichlorophosphanylmethylamino)acetic acid is O=C(O)CNCP(Cl)Cl.
What is the InChIKey of 2-(dichlorophosphanylmethylamino)acetic acid?
The InChIKey is CHCQNUCMZKXOCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H6Cl2NO2P/c4-9(5)2-6-1-3(7)8/h6H,1-2H2,(H,7,8).
What are the key properties of 2-(dichlorophosphanylmethylamino)acetic acid?
2-(dichlorophosphanylmethylamino)acetic acid has a molecular weight of 189.97 g/mol, XLogP of 1.41, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(dichlorophosphanylmethylamino)acetic acid is sourced from PubChem (CID 57018340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).