(3-amino-2-hydroxypropyl)-benzylphosphinic acid

C10H16NO3P — CID 10105202

IUPAC(3-amino-2-hydroxypropyl)-benzylphosphinic acid
SMILESNCC(O)CP(=O)(O)Cc1ccccc1
InChIInChI=1S/C10H16NO3P/c11-6-10(12)8-15(13,14)7-9-4-2-1-3-5-9/h1-5,10,12H,6-8,11H2,(H,13,14)
InChIKeyXLEZOJURISRRBU-UHFFFAOYSA-N
MW229.22 g/mol
LogP0.78
Rot. Bonds5

About (3-amino-2-hydroxypropyl)-benzylphosphinic acid

(3-amino-2-hydroxypropyl)-benzylphosphinic acid (PubChem CID 10105202) has the molecular formula C10H16NO3P and a molecular weight of 229.22 g/mol. Its IUPAC name is (3-amino-2-hydroxypropyl)-benzylphosphinic acid.

Molecular Properties

Compound Name(3-amino-2-hydroxypropyl)-benzylphosphinic acid
PubChem CID10105202
Molecular FormulaC10H16NO3P
Molecular Weight229.22 g/mol
Exact Mass229.09
IUPAC Name(3-amino-2-hydroxypropyl)-benzylphosphinic acid
SMILESNCC(O)CP(=O)(O)Cc1ccccc1
InChIInChI=1S/C10H16NO3P/c11-6-10(12)8-15(13,14)7-9-4-2-1-3-5-9/h1-5,10,12H,6-8,11H2,(H,13,14)
InChIKeyXLEZOJURISRRBU-UHFFFAOYSA-N
XLogP0.78
TPSA83.55 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.22
LogP ≤ 50.78
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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-amino-2-hydroxypropyl)-benzylphosphinic acid?
The IUPAC name of (3-amino-2-hydroxypropyl)-benzylphosphinic acid (CID 10105202) is (3-amino-2-hydroxypropyl)-benzylphosphinic acid.
What is the SMILES notation for (3-amino-2-hydroxypropyl)-benzylphosphinic acid?
The canonical SMILES for (3-amino-2-hydroxypropyl)-benzylphosphinic acid is NCC(O)CP(=O)(O)Cc1ccccc1.
What is the InChIKey of (3-amino-2-hydroxypropyl)-benzylphosphinic acid?
The InChIKey is XLEZOJURISRRBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16NO3P/c11-6-10(12)8-15(13,14)7-9-4-2-1-3-5-9/h1-5,10,12H,6-8,11H2,(H,13,14).
What are the key properties of (3-amino-2-hydroxypropyl)-benzylphosphinic acid?
(3-amino-2-hydroxypropyl)-benzylphosphinic acid has a molecular weight of 229.22 g/mol, XLogP of 0.78, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-amino-2-hydroxypropyl)-benzylphosphinic acid is sourced from PubChem (CID 10105202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).