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

C16H26NO5P — CID 164823812

IUPACpropan-2-yl 2-[[2-methylpropoxy(phenoxy)phosphoryl]amino]propanoate
SMILESCC(C)COP(=O)(NC(C)C(=O)OC(C)C)Oc1ccccc1
InChIInChI=1S/C16H26NO5P/c1-12(2)11-20-23(19,22-15-9-7-6-8-10-15)17-14(5)16(18)21-13(3)4/h6-10,12-14H,11H2,1-5H3,(H,17,19)
InChIKeyPUIZQEUDQKXBNS-UHFFFAOYSA-N
MW343.36 g/mol
LogP3.78
Rot. Bonds9

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

propan-2-yl 2-[[2-methylpropoxy(phenoxy)phosphoryl]amino]propanoate (PubChem CID 164823812) has the molecular formula C16H26NO5P and a molecular weight of 343.36 g/mol. Its IUPAC name is propan-2-yl 2-[[2-methylpropoxy(phenoxy)phosphoryl]amino]propanoate.

Molecular Properties

Compound Namepropan-2-yl 2-[[2-methylpropoxy(phenoxy)phosphoryl]amino]propanoate
PubChem CID164823812
Molecular FormulaC16H26NO5P
Molecular Weight343.36 g/mol
Exact Mass343.15
IUPAC Namepropan-2-yl 2-[[2-methylpropoxy(phenoxy)phosphoryl]amino]propanoate
SMILESCC(C)COP(=O)(NC(C)C(=O)OC(C)C)Oc1ccccc1
InChIInChI=1S/C16H26NO5P/c1-12(2)11-20-23(19,22-15-9-7-6-8-10-15)17-14(5)16(18)21-13(3)4/h6-10,12-14H,11H2,1-5H3,(H,17,19)
InChIKeyPUIZQEUDQKXBNS-UHFFFAOYSA-N
XLogP3.78
TPSA73.86 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.36
LogP ≤ 53.78
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-[[methoxy(phenoxy)phosphoryl]amino]propanoate
CID 90055745
propan-2-yl (2S)-2-[[[(2S)-2-methoxyhex-4-ynoxy]-phenoxyphosphoryl]amino]propanoate
CID 144582269
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 (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-[[ethyl(phenoxy)phosphoryl]amino]propanoate
CID 123570379
propan-2-yl 2-[[phenoxy(propan-2-yl)phosphoryl]amino]propanoate
CID 72578666
propan-2-yl 2-[[phenoxy(propan-2-yloxymethyl)phosphoryl]amino]propanoate
CID 90440549
propan-2-yl 2-[[[(3S)-2,3-difluoro-2-hydroxyhex-4-enoxy]-phenoxyphosphoryl]amino]propanoate
CID 155149382
propan-2-yl 2-[[[4-(2,4-dioxopyrimidin-1-yl)-2-methylsulfanylbutoxy]-phenoxyphosphoryl]amino]propanoate
CID 139380343

Frequently Asked Questions

What is the IUPAC name of propan-2-yl 2-[[2-methylpropoxy(phenoxy)phosphoryl]amino]propanoate?
The IUPAC name of propan-2-yl 2-[[2-methylpropoxy(phenoxy)phosphoryl]amino]propanoate (CID 164823812) is propan-2-yl 2-[[2-methylpropoxy(phenoxy)phosphoryl]amino]propanoate.
What is the SMILES notation for propan-2-yl 2-[[2-methylpropoxy(phenoxy)phosphoryl]amino]propanoate?
The canonical SMILES for propan-2-yl 2-[[2-methylpropoxy(phenoxy)phosphoryl]amino]propanoate is CC(C)COP(=O)(NC(C)C(=O)OC(C)C)Oc1ccccc1.
What is the InChIKey of propan-2-yl 2-[[2-methylpropoxy(phenoxy)phosphoryl]amino]propanoate?
The InChIKey is PUIZQEUDQKXBNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26NO5P/c1-12(2)11-20-23(19,22-15-9-7-6-8-10-15)17-14(5)16(18)21-13(3)4/h6-10,12-14H,11H2,1-5H3,(H,17,19).
What are the key properties of propan-2-yl 2-[[2-methylpropoxy(phenoxy)phosphoryl]amino]propanoate?
propan-2-yl 2-[[2-methylpropoxy(phenoxy)phosphoryl]amino]propanoate has a molecular weight of 343.36 g/mol, XLogP of 3.78, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl 2-[[2-methylpropoxy(phenoxy)phosphoryl]amino]propanoate is sourced from PubChem (CID 164823812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).