methyl 2-dimethoxyphosphoryl-2-iminoacetate

C5H10NO5P — CID 123934254

IUPACmethyl 2-dimethoxyphosphoryl-2-iminoacetate
SMILES[H]/N=C(\C(=O)OC)P(=O)(OC)OC
InChIInChI=1S/C5H10NO5P/c1-9-5(7)4(6)12(8,10-2)11-3/h6H,1-3H3/b6-4+
InChIKeyCYGIJCRGVCWLKI-GQCTYLIASA-N
MW195.11 g/mol
LogP0.62
Rot. Bonds4

About methyl 2-dimethoxyphosphoryl-2-iminoacetate

methyl 2-dimethoxyphosphoryl-2-iminoacetate (PubChem CID 123934254) has the molecular formula C5H10NO5P and a molecular weight of 195.11 g/mol. Its IUPAC name is methyl 2-dimethoxyphosphoryl-2-iminoacetate.

Molecular Properties

Compound Namemethyl 2-dimethoxyphosphoryl-2-iminoacetate
PubChem CID123934254
Molecular FormulaC5H10NO5P
Molecular Weight195.11 g/mol
Exact Mass195.03
IUPAC Namemethyl 2-dimethoxyphosphoryl-2-iminoacetate
SMILES[H]/N=C(\C(=O)OC)P(=O)(OC)OC
InChIInChI=1S/C5H10NO5P/c1-9-5(7)4(6)12(8,10-2)11-3/h6H,1-3H3/b6-4+
InChIKeyCYGIJCRGVCWLKI-GQCTYLIASA-N
XLogP0.62
TPSA85.68 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.11
LogP ≤ 50.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

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Related Compounds

methyl (E)-2-(C-diethoxyphosphorylcarbonimidoyl)-3-hydroxy-3-methoxyprop-2-enoate
CID 135504669
methyl (E)-2-dimethoxyphosphoryl-3-(dimethylamino)prop-2-enoate
CID 100981050
dimethyl oxalate
CID 11120
[(Z)-4-imino-5-methoxy-5-oxopent-2-en-2-yl]oxidanium
CID 163985727
dimethyl 2-sulfanylidene-3-(trimethoxy-λ5-phosphanylidene)butanedioate
CID 23416438
methyl 3-imino-2-methylidenebutanoate
CID 91520499
dimethyl oxalate;hydrochloride
CID 172754902
methyl 2-ethanimidoyl-3-hydroxybut-2-enoate
CID 135420610
methyl (Z)-2-ethanimidoyl-3-hydroxybut-2-enoate
CID 135482629
methyl (E)-2-dimethoxyphosphoryloxybut-2-enoate
CID 129384587
methyl 2-diazenyl-2-dimethoxyphosphorylacetate
CID 174673364
methyl N-dimethoxyphosphorylcarbonylcarbamate
CID 57190698

Frequently Asked Questions

What is the IUPAC name of methyl 2-dimethoxyphosphoryl-2-iminoacetate?
The IUPAC name of methyl 2-dimethoxyphosphoryl-2-iminoacetate (CID 123934254) is methyl 2-dimethoxyphosphoryl-2-iminoacetate.
What is the SMILES notation for methyl 2-dimethoxyphosphoryl-2-iminoacetate?
The canonical SMILES for methyl 2-dimethoxyphosphoryl-2-iminoacetate is [H]/N=C(\C(=O)OC)P(=O)(OC)OC.
What is the InChIKey of methyl 2-dimethoxyphosphoryl-2-iminoacetate?
The InChIKey is CYGIJCRGVCWLKI-GQCTYLIASA-N. The full InChI is InChI=1S/C5H10NO5P/c1-9-5(7)4(6)12(8,10-2)11-3/h6H,1-3H3/b6-4+.
What are the key properties of methyl 2-dimethoxyphosphoryl-2-iminoacetate?
methyl 2-dimethoxyphosphoryl-2-iminoacetate has a molecular weight of 195.11 g/mol, XLogP of 0.62, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-dimethoxyphosphoryl-2-iminoacetate is sourced from PubChem (CID 123934254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).