2-[2-[2-(carboxymethoxy)ethyl-(carboxymethyl)amino]ethoxy]butanedioic acid

C12H19NO10 — CID 137372270

IUPAC2-[2-[2-(carboxymethoxy)ethyl-(carboxymethyl)amino]ethoxy]butanedioic acid
SMILESO=C(O)COCCN(CCOC(CC(=O)O)C(=O)O)CC(=O)O
InChIInChI=1S/C12H19NO10/c14-9(15)5-8(12(20)21)23-4-2-13(6-10(16)17)1-3-22-7-11(18)19/h8H,1-7H2,(H,14,15)(H,16,17)(H,18,19)(H,20,21)
InChIKeyYAOCJZHDGYAFFV-UHFFFAOYSA-N
MW337.28 g/mol
LogP-1.58
Rot. Bonds14

About 2-[2-[2-(carboxymethoxy)ethyl-(carboxymethyl)amino]ethoxy]butanedioic acid

2-[2-[2-(carboxymethoxy)ethyl-(carboxymethyl)amino]ethoxy]butanedioic acid (PubChem CID 137372270) has the molecular formula C12H19NO10 and a molecular weight of 337.28 g/mol. Its IUPAC name is 2-[2-[2-(carboxymethoxy)ethyl-(carboxymethyl)amino]ethoxy]butanedioic acid.

Molecular Properties

Compound Name2-[2-[2-(carboxymethoxy)ethyl-(carboxymethyl)amino]ethoxy]butanedioic acid
PubChem CID137372270
Molecular FormulaC12H19NO10
Molecular Weight337.28 g/mol
Exact Mass337.10
IUPAC Name2-[2-[2-(carboxymethoxy)ethyl-(carboxymethyl)amino]ethoxy]butanedioic acid
SMILESO=C(O)COCCN(CCOC(CC(=O)O)C(=O)O)CC(=O)O
InChIInChI=1S/C12H19NO10/c14-9(15)5-8(12(20)21)23-4-2-13(6-10(16)17)1-3-22-7-11(18)19/h8H,1-7H2,(H,14,15)(H,16,17)(H,18,19)(H,20,21)
InChIKeyYAOCJZHDGYAFFV-UHFFFAOYSA-N
XLogP-1.58
TPSA170.90 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds14
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.28
LogP ≤ 5-1.58
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze 2-[2-[2-(carboxymethoxy)ethyl-(carboxymethyl)amino]ethoxy]butanedioic acid with MolForge

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

Launch Full Analysis

Related Compounds

2-[2-[2-(1,2-dicarboxyethoxy)ethyl-methylamino]ethoxy]butanedioic acid
CID 18506229
2-[bis(2-propan-2-yloxyethyl)amino]acetic acid
CID 157202089
2-[bis[2-(1,2-dicarboxyethoxy)ethyl]amino]butanedioic acid
CID 10994081
CID 159903683
CID 159903683
2-[2-[2-(1-carboxyethoxy)ethyl-(carboxymethyl)amino]ethoxy]propanoic acid
CID 90459132
trisodium;2-(carboxymethoxy)butanedioic acid;hydride
CID 173014091
2-[2-hydroxyprop-2-enyl(2-propan-2-yloxyethyl)amino]acetic acid
CID 161235975
2-[2-hydroxyethyl(2-propan-2-yloxyethyl)amino]acetic acid
CID 122500414
2-[2-(1,2-dicarboxyethoxy)ethyl-(2-hydroxyethyl)amino]butanedioic acid
CID 59356945
2-[bis[2-(1,2-dicarboxyethoxy)ethyl]amino]butanedioic acid;2-[2-[bis[2-(1,2-dicarboxyethoxy)ethyl]amino]ethoxy]butanedioic acid;2-[2-[2-(1,2-dicarboxyethoxy)ethylamino]ethoxy]butanedioic acid;2-[2-(1,2-dicarboxyethoxy)ethyl-(2-hydroxyethyl)amino]butanedioic acid
CID 159658542
3-[2-[1-carboxyethyl-[2-(1,2-diformyloxyethoxy)ethyl]amino]ethoxy]butanoic acid;2-[2-[2-(1-carboxy-2-formyloxyethoxy)ethyl-[2-(1,2-diformyloxyethoxy)ethyl]amino]ethoxy]butanedioic acid;2-[2-(carboxymethoxy)ethyl-[2-(hydroxymethoxymethoxy)ethyl]amino]acetic acid;2-[2-[carboxymethyl-[2-(1,2-diformyloxyethoxy)ethyl]amino]ethoxy]butanedioic acid;2-[2-[carboxymethyl-[2-[1-(hydroxymethoxy)ethoxy]ethyl]amino]ethoxy]propanoic acid;2-[2-(1,2-dicarboxyethoxy)ethyl-[2-(1,2-diformyloxyethoxy)ethyl]amino]butanedioic acid
CID 157213827
2-[2-[2-[2-[bis(carboxymethyl)amino]ethoxy]ethoxy]ethyl-(carboxymethyl)amino]acetic acid;bis(2-[2-[bis(carboxymethyl)amino]ethyl-(carboxymethyl)amino]acetic acid);ethene
CID 173205461

Frequently Asked Questions

What is the IUPAC name of 2-[2-[2-(carboxymethoxy)ethyl-(carboxymethyl)amino]ethoxy]butanedioic acid?
The IUPAC name of 2-[2-[2-(carboxymethoxy)ethyl-(carboxymethyl)amino]ethoxy]butanedioic acid (CID 137372270) is 2-[2-[2-(carboxymethoxy)ethyl-(carboxymethyl)amino]ethoxy]butanedioic acid.
What is the SMILES notation for 2-[2-[2-(carboxymethoxy)ethyl-(carboxymethyl)amino]ethoxy]butanedioic acid?
The canonical SMILES for 2-[2-[2-(carboxymethoxy)ethyl-(carboxymethyl)amino]ethoxy]butanedioic acid is O=C(O)COCCN(CCOC(CC(=O)O)C(=O)O)CC(=O)O.
What is the InChIKey of 2-[2-[2-(carboxymethoxy)ethyl-(carboxymethyl)amino]ethoxy]butanedioic acid?
The InChIKey is YAOCJZHDGYAFFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NO10/c14-9(15)5-8(12(20)21)23-4-2-13(6-10(16)17)1-3-22-7-11(18)19/h8H,1-7H2,(H,14,15)(H,16,17)(H,18,19)(H,20,21).
What are the key properties of 2-[2-[2-(carboxymethoxy)ethyl-(carboxymethyl)amino]ethoxy]butanedioic acid?
2-[2-[2-(carboxymethoxy)ethyl-(carboxymethyl)amino]ethoxy]butanedioic acid has a molecular weight of 337.28 g/mol, XLogP of -1.58, 14 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[2-(carboxymethoxy)ethyl-(carboxymethyl)amino]ethoxy]butanedioic acid is sourced from PubChem (CID 137372270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).