2-(2-aminopropanoylamino)ethylphosphonic acid

C5H13N2O4P — CID 3065998

IUPAC2-(2-aminopropanoylamino)ethylphosphonic acid
SMILESCC(N)C(=O)NCCP(=O)(O)O
InChIInChI=1S/C5H13N2O4P/c1-4(6)5(8)7-2-3-12(9,10)11/h4H,2-3,6H2,1H3,(H,7,8)(H2,9,10,11)
InChIKeyNUWKXSPWLLPBOA-UHFFFAOYSA-N
MW196.14 g/mol
LogP-1.37
Rot. Bonds4

About 2-(2-aminopropanoylamino)ethylphosphonic acid

2-(2-aminopropanoylamino)ethylphosphonic acid (PubChem CID 3065998) has the molecular formula C5H13N2O4P and a molecular weight of 196.14 g/mol. Its IUPAC name is 2-(2-aminopropanoylamino)ethylphosphonic acid.

Molecular Properties

Compound Name2-(2-aminopropanoylamino)ethylphosphonic acid
PubChem CID3065998
Molecular FormulaC5H13N2O4P
Molecular Weight196.14 g/mol
Exact Mass196.06
IUPAC Name2-(2-aminopropanoylamino)ethylphosphonic acid
SMILESCC(N)C(=O)NCCP(=O)(O)O
InChIInChI=1S/C5H13N2O4P/c1-4(6)5(8)7-2-3-12(9,10)11/h4H,2-3,6H2,1H3,(H,7,8)(H2,9,10,11)
InChIKeyNUWKXSPWLLPBOA-UHFFFAOYSA-N
XLogP-1.37
TPSA112.65 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.14
LogP ≤ 5-1.37
H-Bond Donors ≤ 54
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-(2-aminopropanoylamino)ethylphosphonic acid?
The IUPAC name of 2-(2-aminopropanoylamino)ethylphosphonic acid (CID 3065998) is 2-(2-aminopropanoylamino)ethylphosphonic acid.
What is the SMILES notation for 2-(2-aminopropanoylamino)ethylphosphonic acid?
The canonical SMILES for 2-(2-aminopropanoylamino)ethylphosphonic acid is CC(N)C(=O)NCCP(=O)(O)O.
What is the InChIKey of 2-(2-aminopropanoylamino)ethylphosphonic acid?
The InChIKey is NUWKXSPWLLPBOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H13N2O4P/c1-4(6)5(8)7-2-3-12(9,10)11/h4H,2-3,6H2,1H3,(H,7,8)(H2,9,10,11).
What are the key properties of 2-(2-aminopropanoylamino)ethylphosphonic acid?
2-(2-aminopropanoylamino)ethylphosphonic acid has a molecular weight of 196.14 g/mol, XLogP of -1.37, 4 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-aminopropanoylamino)ethylphosphonic acid is sourced from PubChem (CID 3065998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).