2-(ethylamino)ethylphosphonic acid

C4H12NO3P — CID 12557409

IUPAC2-(ethylamino)ethylphosphonic acid
SMILESCCNCCP(=O)(O)O
InChIInChI=1S/C4H12NO3P/c1-2-5-3-4-9(6,7)8/h5H,2-4H2,1H3,(H2,6,7,8)
InChIKeyJBTNREXMEOQLEU-UHFFFAOYSA-N
MW153.12 g/mol
LogP-0.23
Rot. Bonds4

About 2-(ethylamino)ethylphosphonic acid

2-(ethylamino)ethylphosphonic acid (PubChem CID 12557409) has the molecular formula C4H12NO3P and a molecular weight of 153.12 g/mol. Its IUPAC name is 2-(ethylamino)ethylphosphonic acid.

Molecular Properties

Compound Name2-(ethylamino)ethylphosphonic acid
PubChem CID12557409
Molecular FormulaC4H12NO3P
Molecular Weight153.12 g/mol
Exact Mass153.06
IUPAC Name2-(ethylamino)ethylphosphonic acid
SMILESCCNCCP(=O)(O)O
InChIInChI=1S/C4H12NO3P/c1-2-5-3-4-9(6,7)8/h5H,2-4H2,1H3,(H2,6,7,8)
InChIKeyJBTNREXMEOQLEU-UHFFFAOYSA-N
XLogP-0.23
TPSA69.56 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.12
LogP ≤ 5-0.23
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

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Related Compounds

N-ethylethanamine;ethylphosphonic acid
CID 174663902
sodium;N-ethylethanamine;hydride;phosphoric acid
CID 175590291
[bromo(phosphono)methyl]phosphonic acid;N-ethylethanamine
CID 172830708
2-(butanoylamino)ethylphosphonic acid
CID 88586980
ethenylphosphonic acid;bis(N-ethylethanamine)
CID 174668506
[[2-[2-[3-(ethylamino)propanoylamino]ethylamino]-2-oxoethyl]-(phosphonomethyl)amino]methylphosphonic acid;[[2-[2-[3-[2-[3-(ethylamino)propanoylamino]ethylamino]propanoylamino]ethylamino]-2-oxoethyl]-(phosphonomethyl)amino]methylphosphonic acid
CID 159064122
N-methylpentan-1-amine;phosphoric acid
CID 175529105
2-(ethylamino)ethanol
CID 170923531
butylphosphonic acid;neodymium
CID 134499527
3,3-dimethylbutylphosphonic acid
CID 15402429
tris(N-methyldodecan-1-amine);phosphoric acid
CID 175134049
(3-bromo-3-ethylpentyl)phosphonic acid
CID 57375154

Frequently Asked Questions

What is the IUPAC name of 2-(ethylamino)ethylphosphonic acid?
The IUPAC name of 2-(ethylamino)ethylphosphonic acid (CID 12557409) is 2-(ethylamino)ethylphosphonic acid.
What is the SMILES notation for 2-(ethylamino)ethylphosphonic acid?
The canonical SMILES for 2-(ethylamino)ethylphosphonic acid is CCNCCP(=O)(O)O.
What is the InChIKey of 2-(ethylamino)ethylphosphonic acid?
The InChIKey is JBTNREXMEOQLEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H12NO3P/c1-2-5-3-4-9(6,7)8/h5H,2-4H2,1H3,(H2,6,7,8).
What are the key properties of 2-(ethylamino)ethylphosphonic acid?
2-(ethylamino)ethylphosphonic acid has a molecular weight of 153.12 g/mol, XLogP of -0.23, 4 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(ethylamino)ethylphosphonic acid is sourced from PubChem (CID 12557409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).