3-aminopropyl(1,2-dihydroxypropan-2-yl)phosphinic acid

C6H16NO4P — CID 19090902

IUPAC3-aminopropyl(1,2-dihydroxypropan-2-yl)phosphinic acid
SMILESCC(O)(CO)P(=O)(O)CCCN
InChIInChI=1S/C6H16NO4P/c1-6(9,5-8)12(10,11)4-2-3-7/h8-9H,2-5,7H2,1H3,(H,10,11)
InChIKeyGOYPUXBJXOZXFI-UHFFFAOYSA-N
MW197.17 g/mol
LogP-0.69
Rot. Bonds5

About 3-aminopropyl(1,2-dihydroxypropan-2-yl)phosphinic acid

3-aminopropyl(1,2-dihydroxypropan-2-yl)phosphinic acid (PubChem CID 19090902) has the molecular formula C6H16NO4P and a molecular weight of 197.17 g/mol. Its IUPAC name is 3-aminopropyl(1,2-dihydroxypropan-2-yl)phosphinic acid.

Molecular Properties

Compound Name3-aminopropyl(1,2-dihydroxypropan-2-yl)phosphinic acid
PubChem CID19090902
Molecular FormulaC6H16NO4P
Molecular Weight197.17 g/mol
Exact Mass197.08
IUPAC Name3-aminopropyl(1,2-dihydroxypropan-2-yl)phosphinic acid
SMILESCC(O)(CO)P(=O)(O)CCCN
InChIInChI=1S/C6H16NO4P/c1-6(9,5-8)12(10,11)4-2-3-7/h8-9H,2-5,7H2,1H3,(H,10,11)
InChIKeyGOYPUXBJXOZXFI-UHFFFAOYSA-N
XLogP-0.69
TPSA103.78 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.17
LogP ≤ 5-0.69
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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(1,2-dihydroxypropan-2-yl)phosphinic acid?
The IUPAC name of 3-aminopropyl(1,2-dihydroxypropan-2-yl)phosphinic acid (CID 19090902) is 3-aminopropyl(1,2-dihydroxypropan-2-yl)phosphinic acid.
What is the SMILES notation for 3-aminopropyl(1,2-dihydroxypropan-2-yl)phosphinic acid?
The canonical SMILES for 3-aminopropyl(1,2-dihydroxypropan-2-yl)phosphinic acid is CC(O)(CO)P(=O)(O)CCCN.
What is the InChIKey of 3-aminopropyl(1,2-dihydroxypropan-2-yl)phosphinic acid?
The InChIKey is GOYPUXBJXOZXFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H16NO4P/c1-6(9,5-8)12(10,11)4-2-3-7/h8-9H,2-5,7H2,1H3,(H,10,11).
What are the key properties of 3-aminopropyl(1,2-dihydroxypropan-2-yl)phosphinic acid?
3-aminopropyl(1,2-dihydroxypropan-2-yl)phosphinic acid has a molecular weight of 197.17 g/mol, XLogP of -0.69, 5 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-aminopropyl(1,2-dihydroxypropan-2-yl)phosphinic acid is sourced from PubChem (CID 19090902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).