2-(carboxymethoxy-methyl-methylimino-λ5-phosphanyl)oxyacetic acid;methane

C8H20NO6P — CID 160543621

IUPAC2-(carboxymethoxy-methyl-methylimino-λ5-phosphanyl)oxyacetic acid;methane
SMILESC.C.CN=P(C)(OCC(=O)O)OCC(=O)O
InChIInChI=1S/C6H12NO6P.2CH4/c1-7-14(2,12-3-5(8)9)13-4-6(10)11;;/h3-4H2,1-2H3,(H,8,9)(H,10,11);2*1H4
InChIKeyQXCWTYGJLJOSIF-UHFFFAOYSA-N
MW257.22 g/mol
LogP1.75
Rot. Bonds6

About 2-(carboxymethoxy-methyl-methylimino-λ5-phosphanyl)oxyacetic acid;methane

2-(carboxymethoxy-methyl-methylimino-λ5-phosphanyl)oxyacetic acid;methane (PubChem CID 160543621) has the molecular formula C8H20NO6P and a molecular weight of 257.22 g/mol. Its IUPAC name is 2-(carboxymethoxy-methyl-methylimino-λ5-phosphanyl)oxyacetic acid;methane.

Molecular Properties

Compound Name2-(carboxymethoxy-methyl-methylimino-λ5-phosphanyl)oxyacetic acid;methane
PubChem CID160543621
Molecular FormulaC8H20NO6P
Molecular Weight257.22 g/mol
Exact Mass257.10
IUPAC Name2-(carboxymethoxy-methyl-methylimino-λ5-phosphanyl)oxyacetic acid;methane
SMILESC.C.CN=P(C)(OCC(=O)O)OCC(=O)O
InChIInChI=1S/C6H12NO6P.2CH4/c1-7-14(2,12-3-5(8)9)13-4-6(10)11;;/h3-4H2,1-2H3,(H,8,9)(H,10,11);2*1H4
InChIKeyQXCWTYGJLJOSIF-UHFFFAOYSA-N
XLogP1.75
TPSA105.42 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.22
LogP ≤ 51.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(carboxymethoxy-methyl-methylimino-λ5-phosphanyl)oxyacetic acid;methane?
The IUPAC name of 2-(carboxymethoxy-methyl-methylimino-λ5-phosphanyl)oxyacetic acid;methane (CID 160543621) is 2-(carboxymethoxy-methyl-methylimino-λ5-phosphanyl)oxyacetic acid;methane.
What is the SMILES notation for 2-(carboxymethoxy-methyl-methylimino-λ5-phosphanyl)oxyacetic acid;methane?
The canonical SMILES for 2-(carboxymethoxy-methyl-methylimino-λ5-phosphanyl)oxyacetic acid;methane is C.C.CN=P(C)(OCC(=O)O)OCC(=O)O.
What is the InChIKey of 2-(carboxymethoxy-methyl-methylimino-λ5-phosphanyl)oxyacetic acid;methane?
The InChIKey is QXCWTYGJLJOSIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12NO6P.2CH4/c1-7-14(2,12-3-5(8)9)13-4-6(10)11;;/h3-4H2,1-2H3,(H,8,9)(H,10,11);2*1H4.
What are the key properties of 2-(carboxymethoxy-methyl-methylimino-λ5-phosphanyl)oxyacetic acid;methane?
2-(carboxymethoxy-methyl-methylimino-λ5-phosphanyl)oxyacetic acid;methane has a molecular weight of 257.22 g/mol, XLogP of 1.75, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(carboxymethoxy-methyl-methylimino-λ5-phosphanyl)oxyacetic acid;methane is sourced from PubChem (CID 160543621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).