3-acetamidopropyl(ethyl)phosphinic acid

C7H16NO3P — CID 18671102

IUPAC3-acetamidopropyl(ethyl)phosphinic acid
SMILESCCP(=O)(O)CCCNC(C)=O
InChIInChI=1S/C7H16NO3P/c1-3-12(10,11)6-4-5-8-7(2)9/h3-6H2,1-2H3,(H,8,9)(H,10,11)
InChIKeyQCZAJBNYIXWEIM-UHFFFAOYSA-N
MW193.18 g/mol
LogP0.80
Rot. Bonds5

About 3-acetamidopropyl(ethyl)phosphinic acid

3-acetamidopropyl(ethyl)phosphinic acid (PubChem CID 18671102) has the molecular formula C7H16NO3P and a molecular weight of 193.18 g/mol. Its IUPAC name is 3-acetamidopropyl(ethyl)phosphinic acid.

Molecular Properties

Compound Name3-acetamidopropyl(ethyl)phosphinic acid
PubChem CID18671102
Molecular FormulaC7H16NO3P
Molecular Weight193.18 g/mol
Exact Mass193.09
IUPAC Name3-acetamidopropyl(ethyl)phosphinic acid
SMILESCCP(=O)(O)CCCNC(C)=O
InChIInChI=1S/C7H16NO3P/c1-3-12(10,11)6-4-5-8-7(2)9/h3-6H2,1-2H3,(H,8,9)(H,10,11)
InChIKeyQCZAJBNYIXWEIM-UHFFFAOYSA-N
XLogP0.80
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.18
LogP ≤ 50.80
H-Bond Donors ≤ 52
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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Frequently Asked Questions

What is the IUPAC name of 3-acetamidopropyl(ethyl)phosphinic acid?
The IUPAC name of 3-acetamidopropyl(ethyl)phosphinic acid (CID 18671102) is 3-acetamidopropyl(ethyl)phosphinic acid.
What is the SMILES notation for 3-acetamidopropyl(ethyl)phosphinic acid?
The canonical SMILES for 3-acetamidopropyl(ethyl)phosphinic acid is CCP(=O)(O)CCCNC(C)=O.
What is the InChIKey of 3-acetamidopropyl(ethyl)phosphinic acid?
The InChIKey is QCZAJBNYIXWEIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H16NO3P/c1-3-12(10,11)6-4-5-8-7(2)9/h3-6H2,1-2H3,(H,8,9)(H,10,11).
What are the key properties of 3-acetamidopropyl(ethyl)phosphinic acid?
3-acetamidopropyl(ethyl)phosphinic acid has a molecular weight of 193.18 g/mol, XLogP of 0.80, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-acetamidopropyl(ethyl)phosphinic acid is sourced from PubChem (CID 18671102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).