methyl 2-dimethoxyphosphoryl-2-formamidoacetate

C6H12NO6P — CID 14840773

IUPACmethyl 2-dimethoxyphosphoryl-2-formamidoacetate
SMILESCOC(=O)C(NC=O)P(=O)(OC)OC
InChIInChI=1S/C6H12NO6P/c1-11-6(9)5(7-4-8)14(10,12-2)13-3/h4-5H,1-3H3,(H,7,8)
InChIKeyNAAXUIKLBKQILB-UHFFFAOYSA-N
MW225.14 g/mol
LogP-0.28
Rot. Bonds6

About methyl 2-dimethoxyphosphoryl-2-formamidoacetate

methyl 2-dimethoxyphosphoryl-2-formamidoacetate (PubChem CID 14840773) has the molecular formula C6H12NO6P and a molecular weight of 225.14 g/mol. Its IUPAC name is methyl 2-dimethoxyphosphoryl-2-formamidoacetate.

Molecular Properties

Compound Namemethyl 2-dimethoxyphosphoryl-2-formamidoacetate
PubChem CID14840773
Molecular FormulaC6H12NO6P
Molecular Weight225.14 g/mol
Exact Mass225.04
IUPAC Namemethyl 2-dimethoxyphosphoryl-2-formamidoacetate
SMILESCOC(=O)C(NC=O)P(=O)(OC)OC
InChIInChI=1S/C6H12NO6P/c1-11-6(9)5(7-4-8)14(10,12-2)13-3/h4-5H,1-3H3,(H,7,8)
InChIKeyNAAXUIKLBKQILB-UHFFFAOYSA-N
XLogP-0.28
TPSA90.93 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.14
LogP ≤ 5-0.28
H-Bond Donors ≤ 51
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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Frequently Asked Questions

What is the IUPAC name of methyl 2-dimethoxyphosphoryl-2-formamidoacetate?
The IUPAC name of methyl 2-dimethoxyphosphoryl-2-formamidoacetate (CID 14840773) is methyl 2-dimethoxyphosphoryl-2-formamidoacetate.
What is the SMILES notation for methyl 2-dimethoxyphosphoryl-2-formamidoacetate?
The canonical SMILES for methyl 2-dimethoxyphosphoryl-2-formamidoacetate is COC(=O)C(NC=O)P(=O)(OC)OC.
What is the InChIKey of methyl 2-dimethoxyphosphoryl-2-formamidoacetate?
The InChIKey is NAAXUIKLBKQILB-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12NO6P/c1-11-6(9)5(7-4-8)14(10,12-2)13-3/h4-5H,1-3H3,(H,7,8).
What are the key properties of methyl 2-dimethoxyphosphoryl-2-formamidoacetate?
methyl 2-dimethoxyphosphoryl-2-formamidoacetate has a molecular weight of 225.14 g/mol, XLogP of -0.28, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-dimethoxyphosphoryl-2-formamidoacetate is sourced from PubChem (CID 14840773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).