2-[2-[2-(carboxymethoxy)ethoxy]propyl-(carboxymethyl)amino]acetic acid

C11H19NO8 — CID 57085635

IUPAC2-[2-[2-(carboxymethoxy)ethoxy]propyl-(carboxymethyl)amino]acetic acid
SMILESCC(CN(CC(=O)O)CC(=O)O)OCCOCC(=O)O
InChIInChI=1S/C11H19NO8/c1-8(20-3-2-19-7-11(17)18)4-12(5-9(13)14)6-10(15)16/h8H,2-7H2,1H3,(H,13,14)(H,15,16)(H,17,18)
InChIKeyNITSWIPBBNWYOX-UHFFFAOYSA-N
MW293.27 g/mol
LogP-1.04
Rot. Bonds12

About 2-[2-[2-(carboxymethoxy)ethoxy]propyl-(carboxymethyl)amino]acetic acid

2-[2-[2-(carboxymethoxy)ethoxy]propyl-(carboxymethyl)amino]acetic acid (PubChem CID 57085635) has the molecular formula C11H19NO8 and a molecular weight of 293.27 g/mol. Its IUPAC name is 2-[2-[2-(carboxymethoxy)ethoxy]propyl-(carboxymethyl)amino]acetic acid.

Molecular Properties

Compound Name2-[2-[2-(carboxymethoxy)ethoxy]propyl-(carboxymethyl)amino]acetic acid
PubChem CID57085635
Molecular FormulaC11H19NO8
Molecular Weight293.27 g/mol
Exact Mass293.11
IUPAC Name2-[2-[2-(carboxymethoxy)ethoxy]propyl-(carboxymethyl)amino]acetic acid
SMILESCC(CN(CC(=O)O)CC(=O)O)OCCOCC(=O)O
InChIInChI=1S/C11H19NO8/c1-8(20-3-2-19-7-11(17)18)4-12(5-9(13)14)6-10(15)16/h8H,2-7H2,1H3,(H,13,14)(H,15,16)(H,17,18)
InChIKeyNITSWIPBBNWYOX-UHFFFAOYSA-N
XLogP-1.04
TPSA133.60 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds12
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.27
LogP ≤ 5-1.04
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[2-[2-(carboxymethoxy)ethoxy]propyl-(carboxymethyl)amino]acetic acid?
The IUPAC name of 2-[2-[2-(carboxymethoxy)ethoxy]propyl-(carboxymethyl)amino]acetic acid (CID 57085635) is 2-[2-[2-(carboxymethoxy)ethoxy]propyl-(carboxymethyl)amino]acetic acid.
What is the SMILES notation for 2-[2-[2-(carboxymethoxy)ethoxy]propyl-(carboxymethyl)amino]acetic acid?
The canonical SMILES for 2-[2-[2-(carboxymethoxy)ethoxy]propyl-(carboxymethyl)amino]acetic acid is CC(CN(CC(=O)O)CC(=O)O)OCCOCC(=O)O.
What is the InChIKey of 2-[2-[2-(carboxymethoxy)ethoxy]propyl-(carboxymethyl)amino]acetic acid?
The InChIKey is NITSWIPBBNWYOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NO8/c1-8(20-3-2-19-7-11(17)18)4-12(5-9(13)14)6-10(15)16/h8H,2-7H2,1H3,(H,13,14)(H,15,16)(H,17,18).
What are the key properties of 2-[2-[2-(carboxymethoxy)ethoxy]propyl-(carboxymethyl)amino]acetic acid?
2-[2-[2-(carboxymethoxy)ethoxy]propyl-(carboxymethyl)amino]acetic acid has a molecular weight of 293.27 g/mol, XLogP of -1.04, 12 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[2-(carboxymethoxy)ethoxy]propyl-(carboxymethyl)amino]acetic acid is sourced from PubChem (CID 57085635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).