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

C13H20NO5P — CID 90055745

IUPACpropan-2-yl (2S)-2-[[methoxy(phenoxy)phosphoryl]amino]propanoate
SMILESCOP(=O)(N[C@@H](C)C(=O)OC(C)C)Oc1ccccc1
InChIInChI=1S/C13H20NO5P/c1-10(2)18-13(15)11(3)14-20(16,17-4)19-12-8-6-5-7-9-12/h5-11H,1-4H3,(H,14,16)/t11-,20?/m0/s1
InChIKeyBJGSWTZTXRZUKT-ZOZMEPSFSA-N
MW301.28 g/mol
LogP2.75
Rot. Bonds7

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

propan-2-yl (2S)-2-[[methoxy(phenoxy)phosphoryl]amino]propanoate (PubChem CID 90055745) has the molecular formula C13H20NO5P and a molecular weight of 301.28 g/mol. Its IUPAC name is propan-2-yl (2S)-2-[[methoxy(phenoxy)phosphoryl]amino]propanoate.

Molecular Properties

Compound Namepropan-2-yl (2S)-2-[[methoxy(phenoxy)phosphoryl]amino]propanoate
PubChem CID90055745
Molecular FormulaC13H20NO5P
Molecular Weight301.28 g/mol
Exact Mass301.11
IUPAC Namepropan-2-yl (2S)-2-[[methoxy(phenoxy)phosphoryl]amino]propanoate
SMILESCOP(=O)(N[C@@H](C)C(=O)OC(C)C)Oc1ccccc1
InChIInChI=1S/C13H20NO5P/c1-10(2)18-13(15)11(3)14-20(16,17-4)19-12-8-6-5-7-9-12/h5-11H,1-4H3,(H,14,16)/t11-,20?/m0/s1
InChIKeyBJGSWTZTXRZUKT-ZOZMEPSFSA-N
XLogP2.75
TPSA73.86 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.28
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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-[[(2,3,4,5,6-pentafluorophenoxy)-phenoxyphosphoryl]amino]propanoate
CID 53476763
propan-2-yl 2-[[(2,3,4,5,6-pentafluorophenoxy)-phenoxyphosphoryl]amino]propanoate
CID 87400602
propan-2-yl 2-[[2-methylpropoxy(phenoxy)phosphoryl]amino]propanoate
CID 164823812
propan-2-yl (2S)-2-[[[4-[methoxy(oxido)amino]phenoxy]-phenoxyphosphoryl]amino]propanoate
CID 163846181
propan-2-yl (2S)-2-[[methyl(phenoxy)phosphoryl]amino]propanoate
CID 58463507
propan-2-yl 2-[[phenoxy(propan-2-yl)phosphoryl]amino]propanoate
CID 72578666
propan-2-yl (2R)-2-[[phenoxy-(2,3,4,6-tetrafluoro-5-methylphenoxy)phosphoryl]amino]propanoate
CID 130377334
propan-2-yl (2S)-2-[[(2,3,4,5,6-pentafluorophenoxy)-(4-phenylphenoxy)phosphoryl]amino]propanoate
CID 118571155
propan-2-yl (2S)-2-[[(2-nitrophenoxy)-phenoxyphosphoryl]amino]propanoate
CID 56649062
propan-2-yl 2-[[ethyl(phenoxy)phosphoryl]amino]propanoate
CID 123570379
propan-2-yl (2S)-2-[[(2-methylidene-5-oxopyrrolidin-1-yl)oxy-phenoxyphosphoryl]amino]propanoate
CID 134594535

Frequently Asked Questions

What is the IUPAC name of propan-2-yl (2S)-2-[[methoxy(phenoxy)phosphoryl]amino]propanoate?
The IUPAC name of propan-2-yl (2S)-2-[[methoxy(phenoxy)phosphoryl]amino]propanoate (CID 90055745) is propan-2-yl (2S)-2-[[methoxy(phenoxy)phosphoryl]amino]propanoate.
What is the SMILES notation for propan-2-yl (2S)-2-[[methoxy(phenoxy)phosphoryl]amino]propanoate?
The canonical SMILES for propan-2-yl (2S)-2-[[methoxy(phenoxy)phosphoryl]amino]propanoate is COP(=O)(N[C@@H](C)C(=O)OC(C)C)Oc1ccccc1.
What is the InChIKey of propan-2-yl (2S)-2-[[methoxy(phenoxy)phosphoryl]amino]propanoate?
The InChIKey is BJGSWTZTXRZUKT-ZOZMEPSFSA-N. The full InChI is InChI=1S/C13H20NO5P/c1-10(2)18-13(15)11(3)14-20(16,17-4)19-12-8-6-5-7-9-12/h5-11H,1-4H3,(H,14,16)/t11-,20?/m0/s1.
What are the key properties of propan-2-yl (2S)-2-[[methoxy(phenoxy)phosphoryl]amino]propanoate?
propan-2-yl (2S)-2-[[methoxy(phenoxy)phosphoryl]amino]propanoate has a molecular weight of 301.28 g/mol, XLogP of 2.75, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl (2S)-2-[[methoxy(phenoxy)phosphoryl]amino]propanoate is sourced from PubChem (CID 90055745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).