2-[carboxymethyl(2-phosphonoethyl)amino]acetic acid

C6H12NO7P — CID 23422754

IUPAC2-[carboxymethyl(2-phosphonoethyl)amino]acetic acid
SMILESO=C(O)CN(CCP(=O)(O)O)CC(=O)O
InChIInChI=1S/C6H12NO7P/c8-5(9)3-7(4-6(10)11)1-2-15(12,13)14/h1-4H2,(H,8,9)(H,10,11)(H2,12,13,14)
InChIKeyDPUAYCLPMFSSGO-UHFFFAOYSA-N
MW241.14 g/mol
LogP-1.36
Rot. Bonds7

About 2-[carboxymethyl(2-phosphonoethyl)amino]acetic acid

2-[carboxymethyl(2-phosphonoethyl)amino]acetic acid (PubChem CID 23422754) has the molecular formula C6H12NO7P and a molecular weight of 241.14 g/mol. Its IUPAC name is 2-[carboxymethyl(2-phosphonoethyl)amino]acetic acid.

Molecular Properties

Compound Name2-[carboxymethyl(2-phosphonoethyl)amino]acetic acid
PubChem CID23422754
Molecular FormulaC6H12NO7P
Molecular Weight241.14 g/mol
Exact Mass241.04
IUPAC Name2-[carboxymethyl(2-phosphonoethyl)amino]acetic acid
SMILESO=C(O)CN(CCP(=O)(O)O)CC(=O)O
InChIInChI=1S/C6H12NO7P/c8-5(9)3-7(4-6(10)11)1-2-15(12,13)14/h1-4H2,(H,8,9)(H,10,11)(H2,12,13,14)
InChIKeyDPUAYCLPMFSSGO-UHFFFAOYSA-N
XLogP-1.36
TPSA135.37 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.14
LogP ≤ 5-1.36
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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-[carboxymethyl(2-phosphonoethyl)amino]acetic acid?
The IUPAC name of 2-[carboxymethyl(2-phosphonoethyl)amino]acetic acid (CID 23422754) is 2-[carboxymethyl(2-phosphonoethyl)amino]acetic acid.
What is the SMILES notation for 2-[carboxymethyl(2-phosphonoethyl)amino]acetic acid?
The canonical SMILES for 2-[carboxymethyl(2-phosphonoethyl)amino]acetic acid is O=C(O)CN(CCP(=O)(O)O)CC(=O)O.
What is the InChIKey of 2-[carboxymethyl(2-phosphonoethyl)amino]acetic acid?
The InChIKey is DPUAYCLPMFSSGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12NO7P/c8-5(9)3-7(4-6(10)11)1-2-15(12,13)14/h1-4H2,(H,8,9)(H,10,11)(H2,12,13,14).
What are the key properties of 2-[carboxymethyl(2-phosphonoethyl)amino]acetic acid?
2-[carboxymethyl(2-phosphonoethyl)amino]acetic acid has a molecular weight of 241.14 g/mol, XLogP of -1.36, 7 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[carboxymethyl(2-phosphonoethyl)amino]acetic acid is sourced from PubChem (CID 23422754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).