2-dimethoxyphosphoryl-2-[[(1S)-1-phenylethyl]amino]propan-1-ol

C13H22NO4P — CID 155553818

IUPAC2-dimethoxyphosphoryl-2-[[(1S)-1-phenylethyl]amino]propan-1-ol
SMILESCOP(=O)(OC)C(C)(CO)N[C@@H](C)c1ccccc1
InChIInChI=1S/C13H22NO4P/c1-11(12-8-6-5-7-9-12)14-13(2,10-15)19(16,17-3)18-4/h5-9,11,14-15H,10H2,1-4H3/t11-,13?/m0/s1
InChIKeyYMIIVIOFEQNNQN-AMGKYWFPSA-N
MW287.30 g/mol
LogP2.53
Rot. Bonds7

About 2-dimethoxyphosphoryl-2-[[(1S)-1-phenylethyl]amino]propan-1-ol

2-dimethoxyphosphoryl-2-[[(1S)-1-phenylethyl]amino]propan-1-ol (PubChem CID 155553818) has the molecular formula C13H22NO4P and a molecular weight of 287.30 g/mol. Its IUPAC name is 2-dimethoxyphosphoryl-2-[[(1S)-1-phenylethyl]amino]propan-1-ol.

Molecular Properties

Compound Name2-dimethoxyphosphoryl-2-[[(1S)-1-phenylethyl]amino]propan-1-ol
PubChem CID155553818
Molecular FormulaC13H22NO4P
Molecular Weight287.30 g/mol
Exact Mass287.13
IUPAC Name2-dimethoxyphosphoryl-2-[[(1S)-1-phenylethyl]amino]propan-1-ol
SMILESCOP(=O)(OC)C(C)(CO)N[C@@H](C)c1ccccc1
InChIInChI=1S/C13H22NO4P/c1-11(12-8-6-5-7-9-12)14-13(2,10-15)19(16,17-3)18-4/h5-9,11,14-15H,10H2,1-4H3/t11-,13?/m0/s1
InChIKeyYMIIVIOFEQNNQN-AMGKYWFPSA-N
XLogP2.53
TPSA67.79 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.30
LogP ≤ 52.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phosphor', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-dimethoxyphosphoryl-2-[[(1S)-1-phenylethyl]amino]propan-1-ol?
The IUPAC name of 2-dimethoxyphosphoryl-2-[[(1S)-1-phenylethyl]amino]propan-1-ol (CID 155553818) is 2-dimethoxyphosphoryl-2-[[(1S)-1-phenylethyl]amino]propan-1-ol.
What is the SMILES notation for 2-dimethoxyphosphoryl-2-[[(1S)-1-phenylethyl]amino]propan-1-ol?
The canonical SMILES for 2-dimethoxyphosphoryl-2-[[(1S)-1-phenylethyl]amino]propan-1-ol is COP(=O)(OC)C(C)(CO)N[C@@H](C)c1ccccc1.
What is the InChIKey of 2-dimethoxyphosphoryl-2-[[(1S)-1-phenylethyl]amino]propan-1-ol?
The InChIKey is YMIIVIOFEQNNQN-AMGKYWFPSA-N. The full InChI is InChI=1S/C13H22NO4P/c1-11(12-8-6-5-7-9-12)14-13(2,10-15)19(16,17-3)18-4/h5-9,11,14-15H,10H2,1-4H3/t11-,13?/m0/s1.
What are the key properties of 2-dimethoxyphosphoryl-2-[[(1S)-1-phenylethyl]amino]propan-1-ol?
2-dimethoxyphosphoryl-2-[[(1S)-1-phenylethyl]amino]propan-1-ol has a molecular weight of 287.30 g/mol, XLogP of 2.53, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-dimethoxyphosphoryl-2-[[(1S)-1-phenylethyl]amino]propan-1-ol is sourced from PubChem (CID 155553818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).