methyl 2-methoxy-2-[(2-phosphanylacetyl)amino]acetate

C6H12NO4P — CID 58732076

IUPACmethyl 2-methoxy-2-[(2-phosphanylacetyl)amino]acetate
SMILESCOC(=O)C(NC(=O)CP)OC
InChIInChI=1S/C6H12NO4P/c1-10-5(6(9)11-2)7-4(8)3-12/h5H,3,12H2,1-2H3,(H,7,8)
InChIKeyZIQUZRPUTILLDB-UHFFFAOYSA-N
MW193.14 g/mol
LogP-0.88
Rot. Bonds4

About methyl 2-methoxy-2-[(2-phosphanylacetyl)amino]acetate

methyl 2-methoxy-2-[(2-phosphanylacetyl)amino]acetate (PubChem CID 58732076) has the molecular formula C6H12NO4P and a molecular weight of 193.14 g/mol. Its IUPAC name is methyl 2-methoxy-2-[(2-phosphanylacetyl)amino]acetate.

Molecular Properties

Compound Namemethyl 2-methoxy-2-[(2-phosphanylacetyl)amino]acetate
PubChem CID58732076
Molecular FormulaC6H12NO4P
Molecular Weight193.14 g/mol
Exact Mass193.05
IUPAC Namemethyl 2-methoxy-2-[(2-phosphanylacetyl)amino]acetate
SMILESCOC(=O)C(NC(=O)CP)OC
InChIInChI=1S/C6H12NO4P/c1-10-5(6(9)11-2)7-4(8)3-12/h5H,3,12H2,1-2H3,(H,7,8)
InChIKeyZIQUZRPUTILLDB-UHFFFAOYSA-N
XLogP-0.88
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.14
LogP ≤ 5-0.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of methyl 2-methoxy-2-[(2-phosphanylacetyl)amino]acetate?
The IUPAC name of methyl 2-methoxy-2-[(2-phosphanylacetyl)amino]acetate (CID 58732076) is methyl 2-methoxy-2-[(2-phosphanylacetyl)amino]acetate.
What is the SMILES notation for methyl 2-methoxy-2-[(2-phosphanylacetyl)amino]acetate?
The canonical SMILES for methyl 2-methoxy-2-[(2-phosphanylacetyl)amino]acetate is COC(=O)C(NC(=O)CP)OC.
What is the InChIKey of methyl 2-methoxy-2-[(2-phosphanylacetyl)amino]acetate?
The InChIKey is ZIQUZRPUTILLDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12NO4P/c1-10-5(6(9)11-2)7-4(8)3-12/h5H,3,12H2,1-2H3,(H,7,8).
What are the key properties of methyl 2-methoxy-2-[(2-phosphanylacetyl)amino]acetate?
methyl 2-methoxy-2-[(2-phosphanylacetyl)amino]acetate has a molecular weight of 193.14 g/mol, XLogP of -0.88, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-methoxy-2-[(2-phosphanylacetyl)amino]acetate is sourced from PubChem (CID 58732076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).