methyl 2-[formyl-[[methoxy(phenoxy)phosphoryl]methyl]amino]acetate

C12H16NO6P — CID 88710449

IUPACmethyl 2-[formyl-[[methoxy(phenoxy)phosphoryl]methyl]amino]acetate
SMILESCOC(=O)CN(C=O)CP(=O)(OC)Oc1ccccc1
InChIInChI=1S/C12H16NO6P/c1-17-12(15)8-13(9-14)10-20(16,18-2)19-11-6-4-3-5-7-11/h3-7,9H,8,10H2,1-2H3
InChIKeyZQUIUKQSCDROLH-UHFFFAOYSA-N
MW301.24 g/mol
LogP1.49
Rot. Bonds8

About methyl 2-[formyl-[[methoxy(phenoxy)phosphoryl]methyl]amino]acetate

methyl 2-[formyl-[[methoxy(phenoxy)phosphoryl]methyl]amino]acetate (PubChem CID 88710449) has the molecular formula C12H16NO6P and a molecular weight of 301.24 g/mol. Its IUPAC name is methyl 2-[formyl-[[methoxy(phenoxy)phosphoryl]methyl]amino]acetate.

Molecular Properties

Compound Namemethyl 2-[formyl-[[methoxy(phenoxy)phosphoryl]methyl]amino]acetate
PubChem CID88710449
Molecular FormulaC12H16NO6P
Molecular Weight301.24 g/mol
Exact Mass301.07
IUPAC Namemethyl 2-[formyl-[[methoxy(phenoxy)phosphoryl]methyl]amino]acetate
SMILESCOC(=O)CN(C=O)CP(=O)(OC)Oc1ccccc1
InChIInChI=1S/C12H16NO6P/c1-17-12(15)8-13(9-14)10-20(16,18-2)19-11-6-4-3-5-7-11/h3-7,9H,8,10H2,1-2H3
InChIKeyZQUIUKQSCDROLH-UHFFFAOYSA-N
XLogP1.49
TPSA82.14 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.24
LogP ≤ 51.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

2-[formyl-[[methoxy(phenoxy)phosphoryl]methyl]amino]acetic acid
CID 88709753
[methoxy-[[methoxy(phenoxy)phosphoryl]methyl]phosphoryl]oxybenzene;dihydrate
CID 87979302
[2-dimethoxyphosphorylethyl(phenoxy)phosphoryl]oxybenzene
CID 132915786
ethyl (2E)-2-[[diphenoxyphosphorylmethyl-(2-ethoxy-2-oxoethyl)amino]methylidene]-3-oxobutanoate
CID 13309586
[methoxy(prop-2-enyl)phosphoryl]oxybenzene
CID 54095203
[butyl(methoxy)phosphoryl]oxybenzene
CID 125474824
N-(5-methoxy-2,5-dioxopentyl)-phenoxyphosphonamidic acid
CID 122698874
methyl 2-[benzyl(prop-1-enyl)amino]acetate
CID 141322891
[2-diphenoxyphosphorylethyl(phenoxy)phosphoryl]oxybenzene
CID 14550387
methyl 2-(N-(2-methoxy-2-oxoethyl)anilino)acetate
CID 5323791
ethyl 2-[benzylsulfanylcarbonyl(diphenoxyphosphorylmethyl)amino]acetate
CID 12791029
ethyl 2-[benzylsulfinylcarbonyl(diphenoxyphosphorylmethyl)amino]acetate
CID 12791031

Frequently Asked Questions

What is the IUPAC name of methyl 2-[formyl-[[methoxy(phenoxy)phosphoryl]methyl]amino]acetate?
The IUPAC name of methyl 2-[formyl-[[methoxy(phenoxy)phosphoryl]methyl]amino]acetate (CID 88710449) is methyl 2-[formyl-[[methoxy(phenoxy)phosphoryl]methyl]amino]acetate.
What is the SMILES notation for methyl 2-[formyl-[[methoxy(phenoxy)phosphoryl]methyl]amino]acetate?
The canonical SMILES for methyl 2-[formyl-[[methoxy(phenoxy)phosphoryl]methyl]amino]acetate is COC(=O)CN(C=O)CP(=O)(OC)Oc1ccccc1.
What is the InChIKey of methyl 2-[formyl-[[methoxy(phenoxy)phosphoryl]methyl]amino]acetate?
The InChIKey is ZQUIUKQSCDROLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16NO6P/c1-17-12(15)8-13(9-14)10-20(16,18-2)19-11-6-4-3-5-7-11/h3-7,9H,8,10H2,1-2H3.
What are the key properties of methyl 2-[formyl-[[methoxy(phenoxy)phosphoryl]methyl]amino]acetate?
methyl 2-[formyl-[[methoxy(phenoxy)phosphoryl]methyl]amino]acetate has a molecular weight of 301.24 g/mol, XLogP of 1.49, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[formyl-[[methoxy(phenoxy)phosphoryl]methyl]amino]acetate is sourced from PubChem (CID 88710449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).