2-[bis(2-methoxyethyl)carbamoyl-(carboxymethyl)amino]acetic acid

C11H20N2O7 — CID 63646132

IUPAC2-[bis(2-methoxyethyl)carbamoyl-(carboxymethyl)amino]acetic acid
SMILESCOCCN(CCOC)C(=O)N(CC(=O)O)CC(=O)O
InChIInChI=1S/C11H20N2O7/c1-19-5-3-12(4-6-20-2)11(18)13(7-9(14)15)8-10(16)17/h3-8H2,1-2H3,(H,14,15)(H,16,17)
InChIKeyJEZJSOFYFPAHGX-UHFFFAOYSA-N
MW292.29 g/mol
LogP-0.83
Rot. Bonds10

About 2-[bis(2-methoxyethyl)carbamoyl-(carboxymethyl)amino]acetic acid

2-[bis(2-methoxyethyl)carbamoyl-(carboxymethyl)amino]acetic acid (PubChem CID 63646132) has the molecular formula C11H20N2O7 and a molecular weight of 292.29 g/mol. Its IUPAC name is 2-[bis(2-methoxyethyl)carbamoyl-(carboxymethyl)amino]acetic acid.

Molecular Properties

Compound Name2-[bis(2-methoxyethyl)carbamoyl-(carboxymethyl)amino]acetic acid
PubChem CID63646132
Molecular FormulaC11H20N2O7
Molecular Weight292.29 g/mol
Exact Mass292.13
IUPAC Name2-[bis(2-methoxyethyl)carbamoyl-(carboxymethyl)amino]acetic acid
SMILESCOCCN(CCOC)C(=O)N(CC(=O)O)CC(=O)O
InChIInChI=1S/C11H20N2O7/c1-19-5-3-12(4-6-20-2)11(18)13(7-9(14)15)8-10(16)17/h3-8H2,1-2H3,(H,14,15)(H,16,17)
InChIKeyJEZJSOFYFPAHGX-UHFFFAOYSA-N
XLogP-0.83
TPSA116.61 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.29
LogP ≤ 5-0.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[bis(2-methoxyethyl)carbamoyl-(carboxymethyl)amino]acetic acid?
The IUPAC name of 2-[bis(2-methoxyethyl)carbamoyl-(carboxymethyl)amino]acetic acid (CID 63646132) is 2-[bis(2-methoxyethyl)carbamoyl-(carboxymethyl)amino]acetic acid.
What is the SMILES notation for 2-[bis(2-methoxyethyl)carbamoyl-(carboxymethyl)amino]acetic acid?
The canonical SMILES for 2-[bis(2-methoxyethyl)carbamoyl-(carboxymethyl)amino]acetic acid is COCCN(CCOC)C(=O)N(CC(=O)O)CC(=O)O.
What is the InChIKey of 2-[bis(2-methoxyethyl)carbamoyl-(carboxymethyl)amino]acetic acid?
The InChIKey is JEZJSOFYFPAHGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O7/c1-19-5-3-12(4-6-20-2)11(18)13(7-9(14)15)8-10(16)17/h3-8H2,1-2H3,(H,14,15)(H,16,17).
What are the key properties of 2-[bis(2-methoxyethyl)carbamoyl-(carboxymethyl)amino]acetic acid?
2-[bis(2-methoxyethyl)carbamoyl-(carboxymethyl)amino]acetic acid has a molecular weight of 292.29 g/mol, XLogP of -0.83, 10 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[bis(2-methoxyethyl)carbamoyl-(carboxymethyl)amino]acetic acid is sourced from PubChem (CID 63646132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).