propan-2-yl 2-[[phenoxy(propan-2-yl)phosphoryl]amino]propanoate

C15H24NO4P — CID 72578666

IUPACpropan-2-yl 2-[[phenoxy(propan-2-yl)phosphoryl]amino]propanoate
SMILESCC(C)OC(=O)C(C)NP(=O)(Oc1ccccc1)C(C)C
InChIInChI=1S/C15H24NO4P/c1-11(2)19-15(17)13(5)16-21(18,12(3)4)20-14-9-7-6-8-10-14/h6-13H,1-5H3,(H,16,18)
InChIKeyAXWYJIFYCXLBLL-UHFFFAOYSA-N
MW313.33 g/mol
LogP3.60
Rot. Bonds7

About propan-2-yl 2-[[phenoxy(propan-2-yl)phosphoryl]amino]propanoate

propan-2-yl 2-[[phenoxy(propan-2-yl)phosphoryl]amino]propanoate (PubChem CID 72578666) has the molecular formula C15H24NO4P and a molecular weight of 313.33 g/mol. Its IUPAC name is propan-2-yl 2-[[phenoxy(propan-2-yl)phosphoryl]amino]propanoate.

Molecular Properties

Compound Namepropan-2-yl 2-[[phenoxy(propan-2-yl)phosphoryl]amino]propanoate
PubChem CID72578666
Molecular FormulaC15H24NO4P
Molecular Weight313.33 g/mol
Exact Mass313.14
IUPAC Namepropan-2-yl 2-[[phenoxy(propan-2-yl)phosphoryl]amino]propanoate
SMILESCC(C)OC(=O)C(C)NP(=O)(Oc1ccccc1)C(C)C
InChIInChI=1S/C15H24NO4P/c1-11(2)19-15(17)13(5)16-21(18,12(3)4)20-14-9-7-6-8-10-14/h6-13H,1-5H3,(H,16,18)
InChIKeyAXWYJIFYCXLBLL-UHFFFAOYSA-N
XLogP3.60
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.33
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

propan-2-yl (2S)-2-(diphenoxyphosphorylamino)propanoate
CID 90392548
propan-2-yl (2S)-2-[[methyl(phenoxy)phosphoryl]amino]propanoate
CID 58463507
propan-2-yl 2-[[phenoxy(propan-2-yl)phosphoryl]amino]butanoate
CID 123387305
propan-2-yl (2S)-2-[[methoxy(phenoxy)phosphoryl]amino]propanoate
CID 90055745
propan-2-yl 2-[[ethyl(phenoxy)phosphoryl]amino]propanoate
CID 123570379
propan-2-yl 2-[[phenoxy(propan-2-yloxymethyl)phosphoryl]amino]propanoate
CID 90440549
cycloheptyl (2S)-2-[[phenoxy(propan-2-yl)phosphoryl]amino]propanoate
CID 59853405
propan-2-yl 2-[[(2,3,4,5,6-pentafluorophenoxy)-phenoxyphosphoryl]amino]propanoate
CID 87400602
propan-2-yl (2S)-2-[[(2,3,4,5,6-pentafluorophenoxy)-phenoxyphosphoryl]amino]propanoate
CID 53476763
propan-2-yl 2-[[2-methylpropoxy(phenoxy)phosphoryl]amino]propanoate
CID 164823812
propan-2-yl 2-[[3-methylbutan-2-yloxymethyl(phenoxy)phosphoryl]amino]propanoate
CID 118967597
2,2-dimethylpropyl (2S)-2-[[tert-butyl(naphthalen-1-yloxy)phosphoryl]amino]propanoate;propan-2-yl (2S)-2-[[tert-butyl(phenoxy)phosphoryl]amino]propanoate;propan-2-yl (2R)-2-[[phenoxy(propan-2-yl)phosphoryl]amino]propanoate;propan-2-yl (2R)-2-[[phenoxy(propan-2-yl)phosphoryl]amino]propanoate;propan-2-yl (2S)-2-[[phenoxy(propan-2-yl)phosphoryl]amino]propanoate;propan-2-yl (2S)-2-[[phenoxy(propan-2-yl)phosphoryl]amino]propanoate
CID 160852821

Frequently Asked Questions

What is the IUPAC name of propan-2-yl 2-[[phenoxy(propan-2-yl)phosphoryl]amino]propanoate?
The IUPAC name of propan-2-yl 2-[[phenoxy(propan-2-yl)phosphoryl]amino]propanoate (CID 72578666) is propan-2-yl 2-[[phenoxy(propan-2-yl)phosphoryl]amino]propanoate.
What is the SMILES notation for propan-2-yl 2-[[phenoxy(propan-2-yl)phosphoryl]amino]propanoate?
The canonical SMILES for propan-2-yl 2-[[phenoxy(propan-2-yl)phosphoryl]amino]propanoate is CC(C)OC(=O)C(C)NP(=O)(Oc1ccccc1)C(C)C.
What is the InChIKey of propan-2-yl 2-[[phenoxy(propan-2-yl)phosphoryl]amino]propanoate?
The InChIKey is AXWYJIFYCXLBLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24NO4P/c1-11(2)19-15(17)13(5)16-21(18,12(3)4)20-14-9-7-6-8-10-14/h6-13H,1-5H3,(H,16,18).
What are the key properties of propan-2-yl 2-[[phenoxy(propan-2-yl)phosphoryl]amino]propanoate?
propan-2-yl 2-[[phenoxy(propan-2-yl)phosphoryl]amino]propanoate has a molecular weight of 313.33 g/mol, XLogP of 3.60, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl 2-[[phenoxy(propan-2-yl)phosphoryl]amino]propanoate is sourced from PubChem (CID 72578666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).