ethylaminomethylphosphonic acid

C3H10NO3P — CID 3297045

IUPACethylaminomethylphosphonic acid
SMILESCCNCP(=O)(O)O
InChIInChI=1S/C3H10NO3P/c1-2-4-3-8(5,6)7/h4H,2-3H2,1H3,(H2,5,6,7)
InChIKeyQZJYHWXRWTVKSH-UHFFFAOYSA-N
MW139.09 g/mol
LogP-0.27
Rot. Bonds3

About ethylaminomethylphosphonic acid

ethylaminomethylphosphonic acid (PubChem CID 3297045) has the molecular formula C3H10NO3P and a molecular weight of 139.09 g/mol. Its IUPAC name is ethylaminomethylphosphonic acid.

Molecular Properties

Compound Nameethylaminomethylphosphonic acid
PubChem CID3297045
Molecular FormulaC3H10NO3P
Molecular Weight139.09 g/mol
Exact Mass139.04
IUPAC Nameethylaminomethylphosphonic acid
SMILESCCNCP(=O)(O)O
InChIInChI=1S/C3H10NO3P/c1-2-4-3-8(5,6)7/h4H,2-3H2,1H3,(H2,5,6,7)
InChIKeyQZJYHWXRWTVKSH-UHFFFAOYSA-N
XLogP-0.27
TPSA69.56 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500139.09
LogP ≤ 5-0.27
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 ethylaminomethylphosphonic acid?
The IUPAC name of ethylaminomethylphosphonic acid (CID 3297045) is ethylaminomethylphosphonic acid.
What is the SMILES notation for ethylaminomethylphosphonic acid?
The canonical SMILES for ethylaminomethylphosphonic acid is CCNCP(=O)(O)O.
What is the InChIKey of ethylaminomethylphosphonic acid?
The InChIKey is QZJYHWXRWTVKSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H10NO3P/c1-2-4-3-8(5,6)7/h4H,2-3H2,1H3,(H2,5,6,7).
What are the key properties of ethylaminomethylphosphonic acid?
ethylaminomethylphosphonic acid has a molecular weight of 139.09 g/mol, XLogP of -0.27, 3 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethylaminomethylphosphonic acid is sourced from PubChem (CID 3297045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).