2-aminoethylphosphonic acid

C2H8NO3P — CID 339

IUPAC2-aminoethylphosphonic acid
SMILESNCCP(=O)(O)O
InChIInChI=1S/C2H8NO3P/c3-1-2-7(4,5)6/h1-3H2,(H2,4,5,6)
InChIKeyQQVDJLLNRSOCEL-UHFFFAOYSA-N
MW125.06 g/mol
LogP-0.88
Rot. Bonds2

About 2-aminoethylphosphonic acid

2-aminoethylphosphonic acid (PubChem CID 339) has the molecular formula C2H8NO3P and a molecular weight of 125.06 g/mol. Its IUPAC name is 2-aminoethylphosphonic acid.

Molecular Properties

Compound Name2-aminoethylphosphonic acid
PubChem CID339
Molecular FormulaC2H8NO3P
Molecular Weight125.06 g/mol
Exact Mass125.02
IUPAC Name2-aminoethylphosphonic acid
SMILESNCCP(=O)(O)O
InChIInChI=1S/C2H8NO3P/c3-1-2-7(4,5)6/h1-3H2,(H2,4,5,6)
InChIKeyQQVDJLLNRSOCEL-UHFFFAOYSA-N
XLogP-0.88
TPSA83.55 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500125.06
LogP ≤ 5-0.88
H-Bond Donors ≤ 53
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-aminoethylphosphonic acid?
The IUPAC name of 2-aminoethylphosphonic acid (CID 339) is 2-aminoethylphosphonic acid.
What is the SMILES notation for 2-aminoethylphosphonic acid?
The canonical SMILES for 2-aminoethylphosphonic acid is NCCP(=O)(O)O.
What is the InChIKey of 2-aminoethylphosphonic acid?
The InChIKey is QQVDJLLNRSOCEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H8NO3P/c3-1-2-7(4,5)6/h1-3H2,(H2,4,5,6).
What are the key properties of 2-aminoethylphosphonic acid?
2-aminoethylphosphonic acid has a molecular weight of 125.06 g/mol, XLogP of -0.88, 2 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-aminoethylphosphonic acid is sourced from PubChem (CID 339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).