3-aminopropyl(phenyl)phosphinic acid

C9H14NO2P — CID 10104206

IUPAC3-aminopropyl(phenyl)phosphinic acid
SMILESNCCCP(=O)(O)c1ccccc1
InChIInChI=1S/C9H14NO2P/c10-7-4-8-13(11,12)9-5-2-1-3-6-9/h1-3,5-6H,4,7-8,10H2,(H,11,12)
InChIKeyMDGPUUSWAVZTOJ-UHFFFAOYSA-N
MW199.19 g/mol
LogP0.93
Rot. Bonds4

About 3-aminopropyl(phenyl)phosphinic acid

3-aminopropyl(phenyl)phosphinic acid (PubChem CID 10104206) has the molecular formula C9H14NO2P and a molecular weight of 199.19 g/mol. Its IUPAC name is 3-aminopropyl(phenyl)phosphinic acid.

Molecular Properties

Compound Name3-aminopropyl(phenyl)phosphinic acid
PubChem CID10104206
Molecular FormulaC9H14NO2P
Molecular Weight199.19 g/mol
Exact Mass199.08
IUPAC Name3-aminopropyl(phenyl)phosphinic acid
SMILESNCCCP(=O)(O)c1ccccc1
InChIInChI=1S/C9H14NO2P/c10-7-4-8-13(11,12)9-5-2-1-3-6-9/h1-3,5-6H,4,7-8,10H2,(H,11,12)
InChIKeyMDGPUUSWAVZTOJ-UHFFFAOYSA-N
XLogP0.93
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.19
LogP ≤ 50.93
H-Bond Donors ≤ 52
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 3-aminopropyl(phenyl)phosphinic acid?
The IUPAC name of 3-aminopropyl(phenyl)phosphinic acid (CID 10104206) is 3-aminopropyl(phenyl)phosphinic acid.
What is the SMILES notation for 3-aminopropyl(phenyl)phosphinic acid?
The canonical SMILES for 3-aminopropyl(phenyl)phosphinic acid is NCCCP(=O)(O)c1ccccc1.
What is the InChIKey of 3-aminopropyl(phenyl)phosphinic acid?
The InChIKey is MDGPUUSWAVZTOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14NO2P/c10-7-4-8-13(11,12)9-5-2-1-3-6-9/h1-3,5-6H,4,7-8,10H2,(H,11,12).
What are the key properties of 3-aminopropyl(phenyl)phosphinic acid?
3-aminopropyl(phenyl)phosphinic acid has a molecular weight of 199.19 g/mol, XLogP of 0.93, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-aminopropyl(phenyl)phosphinic acid is sourced from PubChem (CID 10104206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).