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

C12H36NO6P — CID 159943783

IUPAC2-(carboxymethoxy-methyl-methylimino-λ5-phosphanyl)oxyacetic acid;methane
SMILESC.C.C.C.C.C.CN=P(C)(OCC(=O)O)OCC(=O)O
InChIInChI=1S/C6H12NO6P.6CH4/c1-7-14(2,12-3-5(8)9)13-4-6(10)11;;;;;;/h3-4H2,1-2H3,(H,8,9)(H,10,11);6*1H4
InChIKeyOBFNDMWPRDJXSS-UHFFFAOYSA-N
MW321.39 g/mol
LogP4.30
Rot. Bonds6

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

2-(carboxymethoxy-methyl-methylimino-λ5-phosphanyl)oxyacetic acid;methane (PubChem CID 159943783) has the molecular formula C12H36NO6P and a molecular weight of 321.39 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 CID159943783
Molecular FormulaC12H36NO6P
Molecular Weight321.39 g/mol
Exact Mass321.23
IUPAC Name2-(carboxymethoxy-methyl-methylimino-λ5-phosphanyl)oxyacetic acid;methane
SMILESC.C.C.C.C.C.CN=P(C)(OCC(=O)O)OCC(=O)O
InChIInChI=1S/C6H12NO6P.6CH4/c1-7-14(2,12-3-5(8)9)13-4-6(10)11;;;;;;/h3-4H2,1-2H3,(H,8,9)(H,10,11);6*1H4
InChIKeyOBFNDMWPRDJXSS-UHFFFAOYSA-N
XLogP4.30
TPSA105.42 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.39
LogP ≤ 54.30
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 159943783) 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.C.C.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 OBFNDMWPRDJXSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12NO6P.6CH4/c1-7-14(2,12-3-5(8)9)13-4-6(10)11;;;;;;/h3-4H2,1-2H3,(H,8,9)(H,10,11);6*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 321.39 g/mol, XLogP of 4.30, 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 159943783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).