1-(ethylamino)ethylphosphonic acid

C4H12NO3P — CID 140998645

IUPAC1-(ethylamino)ethylphosphonic acid
SMILESCCNC(C)P(=O)(O)O
InChIInChI=1S/C4H12NO3P/c1-3-5-4(2)9(6,7)8/h4-5H,3H2,1-2H3,(H2,6,7,8)
InChIKeyXFDRMGYGJFYMOW-UHFFFAOYSA-N
MW153.12 g/mol
LogP0.12
Rot. Bonds3

About 1-(ethylamino)ethylphosphonic acid

1-(ethylamino)ethylphosphonic acid (PubChem CID 140998645) has the molecular formula C4H12NO3P and a molecular weight of 153.12 g/mol. Its IUPAC name is 1-(ethylamino)ethylphosphonic acid.

Molecular Properties

Compound Name1-(ethylamino)ethylphosphonic acid
PubChem CID140998645
Molecular FormulaC4H12NO3P
Molecular Weight153.12 g/mol
Exact Mass153.06
IUPAC Name1-(ethylamino)ethylphosphonic acid
SMILESCCNC(C)P(=O)(O)O
InChIInChI=1S/C4H12NO3P/c1-3-5-4(2)9(6,7)8/h4-5H,3H2,1-2H3,(H2,6,7,8)
InChIKeyXFDRMGYGJFYMOW-UHFFFAOYSA-N
XLogP0.12
TPSA69.56 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.12
LogP ≤ 50.12
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 1-(ethylamino)ethylphosphonic acid?
The IUPAC name of 1-(ethylamino)ethylphosphonic acid (CID 140998645) is 1-(ethylamino)ethylphosphonic acid.
What is the SMILES notation for 1-(ethylamino)ethylphosphonic acid?
The canonical SMILES for 1-(ethylamino)ethylphosphonic acid is CCNC(C)P(=O)(O)O.
What is the InChIKey of 1-(ethylamino)ethylphosphonic acid?
The InChIKey is XFDRMGYGJFYMOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H12NO3P/c1-3-5-4(2)9(6,7)8/h4-5H,3H2,1-2H3,(H2,6,7,8).
What are the key properties of 1-(ethylamino)ethylphosphonic acid?
1-(ethylamino)ethylphosphonic acid has a molecular weight of 153.12 g/mol, XLogP of 0.12, 3 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(ethylamino)ethylphosphonic acid is sourced from PubChem (CID 140998645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).