ethylcarbamoylphosphonic acid

C3H8NO4P — CID 11205873

IUPACethylcarbamoylphosphonic acid
SMILESCCNC(=O)P(=O)(O)O
InChIInChI=1S/C3H8NO4P/c1-2-4-3(5)9(6,7)8/h2H2,1H3,(H,4,5)(H2,6,7,8)
InChIKeyIZWWUWVUAGTWGV-UHFFFAOYSA-N
MW153.07 g/mol
LogP-0.11
Rot. Bonds2

About ethylcarbamoylphosphonic acid

ethylcarbamoylphosphonic acid (PubChem CID 11205873) has the molecular formula C3H8NO4P and a molecular weight of 153.07 g/mol. Its IUPAC name is ethylcarbamoylphosphonic acid.

Molecular Properties

Compound Nameethylcarbamoylphosphonic acid
PubChem CID11205873
Molecular FormulaC3H8NO4P
Molecular Weight153.07 g/mol
Exact Mass153.02
IUPAC Nameethylcarbamoylphosphonic acid
SMILESCCNC(=O)P(=O)(O)O
InChIInChI=1S/C3H8NO4P/c1-2-4-3(5)9(6,7)8/h2H2,1H3,(H,4,5)(H2,6,7,8)
InChIKeyIZWWUWVUAGTWGV-UHFFFAOYSA-N
XLogP-0.11
TPSA86.63 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.07
LogP ≤ 5-0.11
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 ethylcarbamoylphosphonic acid?
The IUPAC name of ethylcarbamoylphosphonic acid (CID 11205873) is ethylcarbamoylphosphonic acid.
What is the SMILES notation for ethylcarbamoylphosphonic acid?
The canonical SMILES for ethylcarbamoylphosphonic acid is CCNC(=O)P(=O)(O)O.
What is the InChIKey of ethylcarbamoylphosphonic acid?
The InChIKey is IZWWUWVUAGTWGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H8NO4P/c1-2-4-3(5)9(6,7)8/h2H2,1H3,(H,4,5)(H2,6,7,8).
What are the key properties of ethylcarbamoylphosphonic acid?
ethylcarbamoylphosphonic acid has a molecular weight of 153.07 g/mol, XLogP of -0.11, 2 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethylcarbamoylphosphonic acid is sourced from PubChem (CID 11205873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).