(2-azaniumyl-1-hydroxyethyl)-hydroxyphosphinate

C2H8NO4P — CID 74545633

IUPAC(2-azaniumyl-1-hydroxyethyl)-hydroxyphosphinate
SMILES[NH3+]CC(O)P(=O)([O-])O
InChIInChI=1S/C2H8NO4P/c3-1-2(4)8(5,6)7/h2,4H,1,3H2,(H2,5,6,7)
InChIKeyRTTXIBKRJFIBBG-UHFFFAOYSA-N
MW141.06 g/mol
LogP-2.91
Rot. Bonds2

About (2-azaniumyl-1-hydroxyethyl)-hydroxyphosphinate

(2-azaniumyl-1-hydroxyethyl)-hydroxyphosphinate (PubChem CID 74545633) has the molecular formula C2H8NO4P and a molecular weight of 141.06 g/mol. Its IUPAC name is (2-azaniumyl-1-hydroxyethyl)-hydroxyphosphinate.

Molecular Properties

Compound Name(2-azaniumyl-1-hydroxyethyl)-hydroxyphosphinate
PubChem CID74545633
Molecular FormulaC2H8NO4P
Molecular Weight141.06 g/mol
Exact Mass141.02
IUPAC Name(2-azaniumyl-1-hydroxyethyl)-hydroxyphosphinate
SMILES[NH3+]CC(O)P(=O)([O-])O
InChIInChI=1S/C2H8NO4P/c3-1-2(4)8(5,6)7/h2,4H,1,3H2,(H2,5,6,7)
InChIKeyRTTXIBKRJFIBBG-UHFFFAOYSA-N
XLogP-2.91
TPSA108.23 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.06
LogP ≤ 5-2.91
H-Bond Donors ≤ 53
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-azaniumyl-1-hydroxyethyl)-hydroxyphosphinate?
The IUPAC name of (2-azaniumyl-1-hydroxyethyl)-hydroxyphosphinate (CID 74545633) is (2-azaniumyl-1-hydroxyethyl)-hydroxyphosphinate.
What is the SMILES notation for (2-azaniumyl-1-hydroxyethyl)-hydroxyphosphinate?
The canonical SMILES for (2-azaniumyl-1-hydroxyethyl)-hydroxyphosphinate is [NH3+]CC(O)P(=O)([O-])O.
What is the InChIKey of (2-azaniumyl-1-hydroxyethyl)-hydroxyphosphinate?
The InChIKey is RTTXIBKRJFIBBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H8NO4P/c3-1-2(4)8(5,6)7/h2,4H,1,3H2,(H2,5,6,7).
What are the key properties of (2-azaniumyl-1-hydroxyethyl)-hydroxyphosphinate?
(2-azaniumyl-1-hydroxyethyl)-hydroxyphosphinate has a molecular weight of 141.06 g/mol, XLogP of -2.91, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-azaniumyl-1-hydroxyethyl)-hydroxyphosphinate is sourced from PubChem (CID 74545633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).