2-[carboxymethyl-[2-[carboxymethyl-[2-(2-ethoxyethoxy)-2-oxoethyl]amino]ethyl]amino]acetic acid

C14H24N2O9 — CID 174960302

IUPAC2-[carboxymethyl-[2-[carboxymethyl-[2-(2-ethoxyethoxy)-2-oxoethyl]amino]ethyl]amino]acetic acid
SMILESCCOCCOC(=O)CN(CCN(CC(=O)O)CC(=O)O)CC(=O)O
InChIInChI=1S/C14H24N2O9/c1-2-24-5-6-25-14(23)10-16(9-13(21)22)4-3-15(7-11(17)18)8-12(19)20/h2-10H2,1H3,(H,17,18)(H,19,20)(H,21,22)
InChIKeyMIOQHMYOEJXMRG-UHFFFAOYSA-N
MW364.35 g/mol
LogP-1.58
Rot. Bonds15

About 2-[carboxymethyl-[2-[carboxymethyl-[2-(2-ethoxyethoxy)-2-oxoethyl]amino]ethyl]amino]acetic acid

2-[carboxymethyl-[2-[carboxymethyl-[2-(2-ethoxyethoxy)-2-oxoethyl]amino]ethyl]amino]acetic acid (PubChem CID 174960302) has the molecular formula C14H24N2O9 and a molecular weight of 364.35 g/mol. Its IUPAC name is 2-[carboxymethyl-[2-[carboxymethyl-[2-(2-ethoxyethoxy)-2-oxoethyl]amino]ethyl]amino]acetic acid.

Molecular Properties

Compound Name2-[carboxymethyl-[2-[carboxymethyl-[2-(2-ethoxyethoxy)-2-oxoethyl]amino]ethyl]amino]acetic acid
PubChem CID174960302
Molecular FormulaC14H24N2O9
Molecular Weight364.35 g/mol
Exact Mass364.15
IUPAC Name2-[carboxymethyl-[2-[carboxymethyl-[2-(2-ethoxyethoxy)-2-oxoethyl]amino]ethyl]amino]acetic acid
SMILESCCOCCOC(=O)CN(CCN(CC(=O)O)CC(=O)O)CC(=O)O
InChIInChI=1S/C14H24N2O9/c1-2-24-5-6-25-14(23)10-16(9-13(21)22)4-3-15(7-11(17)18)8-12(19)20/h2-10H2,1H3,(H,17,18)(H,19,20)(H,21,22)
InChIKeyMIOQHMYOEJXMRG-UHFFFAOYSA-N
XLogP-1.58
TPSA153.91 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds15
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.35
LogP ≤ 5-1.58
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Related Compounds

2-[2-[carboxymethyl-(2-ethoxy-2-oxoethyl)amino]ethyl-[2-[(2-ethoxy-2-oxoethyl)-ethylamino]ethyl]amino]acetic acid
CID 156509209
2-[2-[2-[[2-[2-[2-[2-[2-[bis(carboxymethyl)amino]ethyl-methylamino]ethyl-methylamino]acetyl]oxyethoxy]-2-oxoethyl]-methylamino]ethyl-methylamino]ethyl-(carboxymethyl)amino]acetic acid
CID 89339466
2-[bis[2-[carboxymethyl-[2-oxo-2-(2-prop-2-enoyloxyethoxy)ethyl]amino]ethyl]amino]acetic acid
CID 134355041
2-[3-ethoxypropyl(propyl)amino]acetic acid
CID 65180824
butyl 2-[bis(2-ethoxyethyl)amino]acetate
CID 82951802
2-[2-[2-[bis(2-methoxy-2-oxoethyl)amino]ethyl-(2-methoxy-2-oxoethyl)amino]ethyl-(2-methoxy-2-oxoethyl)amino]acetic acid
CID 19388423
azane;2-[bis[2-[bis(carboxymethyl)amino]ethyl]amino]acetic acid;ruthenium
CID 173217392
2-[2-[bis(carboxymethyl)amino]ethyl-(carboxymethyl)amino]acetic acid;2-[carboxymethyl-[2-[carboxymethyl-(2-methoxy-2-oxoethyl)amino]ethyl]amino]acetic acid
CID 87578927
2-[2-[bis(carboxymethyl)amino]ethyl-[2-[carboxymethyl-[2-oxo-2-(3-oxo-3-prop-1-en-2-yloxypropoxy)ethyl]amino]ethyl]amino]acetic acid
CID 144727350
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
2-[bis[2-[bis(carboxymethyl)amino]ethyl]amino]acetic acid;lanthanum(3+)
CID 10230281
Ca-DTPA
CID 86735184

Frequently Asked Questions

What is the IUPAC name of 2-[carboxymethyl-[2-[carboxymethyl-[2-(2-ethoxyethoxy)-2-oxoethyl]amino]ethyl]amino]acetic acid?
The IUPAC name of 2-[carboxymethyl-[2-[carboxymethyl-[2-(2-ethoxyethoxy)-2-oxoethyl]amino]ethyl]amino]acetic acid (CID 174960302) is 2-[carboxymethyl-[2-[carboxymethyl-[2-(2-ethoxyethoxy)-2-oxoethyl]amino]ethyl]amino]acetic acid.
What is the SMILES notation for 2-[carboxymethyl-[2-[carboxymethyl-[2-(2-ethoxyethoxy)-2-oxoethyl]amino]ethyl]amino]acetic acid?
The canonical SMILES for 2-[carboxymethyl-[2-[carboxymethyl-[2-(2-ethoxyethoxy)-2-oxoethyl]amino]ethyl]amino]acetic acid is CCOCCOC(=O)CN(CCN(CC(=O)O)CC(=O)O)CC(=O)O.
What is the InChIKey of 2-[carboxymethyl-[2-[carboxymethyl-[2-(2-ethoxyethoxy)-2-oxoethyl]amino]ethyl]amino]acetic acid?
The InChIKey is MIOQHMYOEJXMRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O9/c1-2-24-5-6-25-14(23)10-16(9-13(21)22)4-3-15(7-11(17)18)8-12(19)20/h2-10H2,1H3,(H,17,18)(H,19,20)(H,21,22).
What are the key properties of 2-[carboxymethyl-[2-[carboxymethyl-[2-(2-ethoxyethoxy)-2-oxoethyl]amino]ethyl]amino]acetic acid?
2-[carboxymethyl-[2-[carboxymethyl-[2-(2-ethoxyethoxy)-2-oxoethyl]amino]ethyl]amino]acetic acid has a molecular weight of 364.35 g/mol, XLogP of -1.58, 15 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[carboxymethyl-[2-[carboxymethyl-[2-(2-ethoxyethoxy)-2-oxoethyl]amino]ethyl]amino]acetic acid is sourced from PubChem (CID 174960302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).