[2-dimethoxyphosphoryl-2-[[(1S)-1-phenylethyl]amino]propyl] acetate

C15H24NO5P — CID 155516755

IUPAC[2-dimethoxyphosphoryl-2-[[(1S)-1-phenylethyl]amino]propyl] acetate
SMILESCOP(=O)(OC)C(C)(COC(C)=O)N[C@@H](C)c1ccccc1
InChIInChI=1S/C15H24NO5P/c1-12(14-9-7-6-8-10-14)16-15(3,11-21-13(2)17)22(18,19-4)20-5/h6-10,12,16H,11H2,1-5H3/t12-,15?/m0/s1
InChIKeyNSSZZBZCOGNLPJ-SFVWDYPZSA-N
MW329.33 g/mol
LogP3.10
Rot. Bonds8

About [2-dimethoxyphosphoryl-2-[[(1S)-1-phenylethyl]amino]propyl] acetate

[2-dimethoxyphosphoryl-2-[[(1S)-1-phenylethyl]amino]propyl] acetate (PubChem CID 155516755) has the molecular formula C15H24NO5P and a molecular weight of 329.33 g/mol. Its IUPAC name is [2-dimethoxyphosphoryl-2-[[(1S)-1-phenylethyl]amino]propyl] acetate.

Molecular Properties

Compound Name[2-dimethoxyphosphoryl-2-[[(1S)-1-phenylethyl]amino]propyl] acetate
PubChem CID155516755
Molecular FormulaC15H24NO5P
Molecular Weight329.33 g/mol
Exact Mass329.14
IUPAC Name[2-dimethoxyphosphoryl-2-[[(1S)-1-phenylethyl]amino]propyl] acetate
SMILESCOP(=O)(OC)C(C)(COC(C)=O)N[C@@H](C)c1ccccc1
InChIInChI=1S/C15H24NO5P/c1-12(14-9-7-6-8-10-14)16-15(3,11-21-13(2)17)22(18,19-4)20-5/h6-10,12,16H,11H2,1-5H3/t12-,15?/m0/s1
InChIKeyNSSZZBZCOGNLPJ-SFVWDYPZSA-N
XLogP3.10
TPSA73.86 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.33
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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]propyl] acetate?
The IUPAC name of [2-dimethoxyphosphoryl-2-[[(1S)-1-phenylethyl]amino]propyl] acetate (CID 155516755) is [2-dimethoxyphosphoryl-2-[[(1S)-1-phenylethyl]amino]propyl] acetate.
What is the SMILES notation for [2-dimethoxyphosphoryl-2-[[(1S)-1-phenylethyl]amino]propyl] acetate?
The canonical SMILES for [2-dimethoxyphosphoryl-2-[[(1S)-1-phenylethyl]amino]propyl] acetate is COP(=O)(OC)C(C)(COC(C)=O)N[C@@H](C)c1ccccc1.
What is the InChIKey of [2-dimethoxyphosphoryl-2-[[(1S)-1-phenylethyl]amino]propyl] acetate?
The InChIKey is NSSZZBZCOGNLPJ-SFVWDYPZSA-N. The full InChI is InChI=1S/C15H24NO5P/c1-12(14-9-7-6-8-10-14)16-15(3,11-21-13(2)17)22(18,19-4)20-5/h6-10,12,16H,11H2,1-5H3/t12-,15?/m0/s1.
What are the key properties of [2-dimethoxyphosphoryl-2-[[(1S)-1-phenylethyl]amino]propyl] acetate?
[2-dimethoxyphosphoryl-2-[[(1S)-1-phenylethyl]amino]propyl] acetate has a molecular weight of 329.33 g/mol, XLogP of 3.10, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-dimethoxyphosphoryl-2-[[(1S)-1-phenylethyl]amino]propyl] acetate is sourced from PubChem (CID 155516755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).