(1-amino-3-methoxypropan-2-yl)-phenylphosphinic acid

C10H16NO3P — CID 15309993

IUPAC(1-amino-3-methoxypropan-2-yl)-phenylphosphinic acid
SMILESCOCC(CN)P(=O)(O)c1ccccc1
InChIInChI=1S/C10H16NO3P/c1-14-8-10(7-11)15(12,13)9-5-3-2-4-6-9/h2-6,10H,7-8,11H2,1H3,(H,12,13)
InChIKeyRTQNEYVTBWSIOQ-UHFFFAOYSA-N
MW229.22 g/mol
LogP0.56
Rot. Bonds5

About (1-amino-3-methoxypropan-2-yl)-phenylphosphinic acid

(1-amino-3-methoxypropan-2-yl)-phenylphosphinic acid (PubChem CID 15309993) has the molecular formula C10H16NO3P and a molecular weight of 229.22 g/mol. Its IUPAC name is (1-amino-3-methoxypropan-2-yl)-phenylphosphinic acid.

Molecular Properties

Compound Name(1-amino-3-methoxypropan-2-yl)-phenylphosphinic acid
PubChem CID15309993
Molecular FormulaC10H16NO3P
Molecular Weight229.22 g/mol
Exact Mass229.09
IUPAC Name(1-amino-3-methoxypropan-2-yl)-phenylphosphinic acid
SMILESCOCC(CN)P(=O)(O)c1ccccc1
InChIInChI=1S/C10H16NO3P/c1-14-8-10(7-11)15(12,13)9-5-3-2-4-6-9/h2-6,10H,7-8,11H2,1H3,(H,12,13)
InChIKeyRTQNEYVTBWSIOQ-UHFFFAOYSA-N
XLogP0.56
TPSA72.55 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.22
LogP ≤ 50.56
H-Bond Donors ≤ 52
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 (1-amino-3-methoxypropan-2-yl)-phenylphosphinic acid?
The IUPAC name of (1-amino-3-methoxypropan-2-yl)-phenylphosphinic acid (CID 15309993) is (1-amino-3-methoxypropan-2-yl)-phenylphosphinic acid.
What is the SMILES notation for (1-amino-3-methoxypropan-2-yl)-phenylphosphinic acid?
The canonical SMILES for (1-amino-3-methoxypropan-2-yl)-phenylphosphinic acid is COCC(CN)P(=O)(O)c1ccccc1.
What is the InChIKey of (1-amino-3-methoxypropan-2-yl)-phenylphosphinic acid?
The InChIKey is RTQNEYVTBWSIOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16NO3P/c1-14-8-10(7-11)15(12,13)9-5-3-2-4-6-9/h2-6,10H,7-8,11H2,1H3,(H,12,13).
What are the key properties of (1-amino-3-methoxypropan-2-yl)-phenylphosphinic acid?
(1-amino-3-methoxypropan-2-yl)-phenylphosphinic acid has a molecular weight of 229.22 g/mol, XLogP of 0.56, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1-amino-3-methoxypropan-2-yl)-phenylphosphinic acid is sourced from PubChem (CID 15309993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).