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

C6H12NO6P — CID 59622912

IUPAC2-(carboxymethoxy-methyl-methylimino-λ5-phosphanyl)oxyacetic acid
SMILESCN=P(C)(OCC(=O)O)OCC(=O)O
InChIInChI=1S/C6H12NO6P/c1-7-14(2,12-3-5(8)9)13-4-6(10)11/h3-4H2,1-2H3,(H,8,9)(H,10,11)
InChIKeyHPQOVBIWUYJLLW-UHFFFAOYSA-N
MW225.14 g/mol
LogP0.48
Rot. Bonds6

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

2-(carboxymethoxy-methyl-methylimino-λ5-phosphanyl)oxyacetic acid (PubChem CID 59622912) has the molecular formula C6H12NO6P and a molecular weight of 225.14 g/mol. Its IUPAC name is 2-(carboxymethoxy-methyl-methylimino-λ5-phosphanyl)oxyacetic acid.

Molecular Properties

Compound Name2-(carboxymethoxy-methyl-methylimino-λ5-phosphanyl)oxyacetic acid
PubChem CID59622912
Molecular FormulaC6H12NO6P
Molecular Weight225.14 g/mol
Exact Mass225.04
IUPAC Name2-(carboxymethoxy-methyl-methylimino-λ5-phosphanyl)oxyacetic acid
SMILESCN=P(C)(OCC(=O)O)OCC(=O)O
InChIInChI=1S/C6H12NO6P/c1-7-14(2,12-3-5(8)9)13-4-6(10)11/h3-4H2,1-2H3,(H,8,9)(H,10,11)
InChIKeyHPQOVBIWUYJLLW-UHFFFAOYSA-N
XLogP0.48
TPSA105.42 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.14
LogP ≤ 50.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 2-(carboxymethoxy-methyl-methylimino-λ5-phosphanyl)oxyacetic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(carboxymethoxy-methyl-methylimino-λ5-phosphanyl)oxyacetic acid?
The IUPAC name of 2-(carboxymethoxy-methyl-methylimino-λ5-phosphanyl)oxyacetic acid (CID 59622912) is 2-(carboxymethoxy-methyl-methylimino-λ5-phosphanyl)oxyacetic acid.
What is the SMILES notation for 2-(carboxymethoxy-methyl-methylimino-λ5-phosphanyl)oxyacetic acid?
The canonical SMILES for 2-(carboxymethoxy-methyl-methylimino-λ5-phosphanyl)oxyacetic acid is CN=P(C)(OCC(=O)O)OCC(=O)O.
What is the InChIKey of 2-(carboxymethoxy-methyl-methylimino-λ5-phosphanyl)oxyacetic acid?
The InChIKey is HPQOVBIWUYJLLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12NO6P/c1-7-14(2,12-3-5(8)9)13-4-6(10)11/h3-4H2,1-2H3,(H,8,9)(H,10,11).
What are the key properties of 2-(carboxymethoxy-methyl-methylimino-λ5-phosphanyl)oxyacetic acid?
2-(carboxymethoxy-methyl-methylimino-λ5-phosphanyl)oxyacetic acid has a molecular weight of 225.14 g/mol, XLogP of 0.48, 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 is sourced from PubChem (CID 59622912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).