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

C14H24N2O8 — CID 145210953

IUPAC2-[2-[2-[2-[bis(2-oxoethyl)amino]ethoxy]ethoxy]ethyl-(carboxymethyl)amino]acetic acid
SMILESO=CCN(CC=O)CCOCCOCCN(CC(=O)O)CC(=O)O
InChIInChI=1S/C14H24N2O8/c17-5-1-15(2-6-18)3-7-23-9-10-24-8-4-16(11-13(19)20)12-14(21)22/h5-6H,1-4,7-12H2,(H,19,20)(H,21,22)
InChIKeyBOUKHTLSGWLLKQ-UHFFFAOYSA-N
MW348.35 g/mol
LogP-1.81
Rot. Bonds17

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

2-[2-[2-[2-[bis(2-oxoethyl)amino]ethoxy]ethoxy]ethyl-(carboxymethyl)amino]acetic acid (PubChem CID 145210953) has the molecular formula C14H24N2O8 and a molecular weight of 348.35 g/mol. Its IUPAC name is 2-[2-[2-[2-[bis(2-oxoethyl)amino]ethoxy]ethoxy]ethyl-(carboxymethyl)amino]acetic acid.

Molecular Properties

Compound Name2-[2-[2-[2-[bis(2-oxoethyl)amino]ethoxy]ethoxy]ethyl-(carboxymethyl)amino]acetic acid
PubChem CID145210953
Molecular FormulaC14H24N2O8
Molecular Weight348.35 g/mol
Exact Mass348.15
IUPAC Name2-[2-[2-[2-[bis(2-oxoethyl)amino]ethoxy]ethoxy]ethyl-(carboxymethyl)amino]acetic acid
SMILESO=CCN(CC=O)CCOCCOCCN(CC(=O)O)CC(=O)O
InChIInChI=1S/C14H24N2O8/c17-5-1-15(2-6-18)3-7-23-9-10-24-8-4-16(11-13(19)20)12-14(21)22/h5-6H,1-4,7-12H2,(H,19,20)(H,21,22)
InChIKeyBOUKHTLSGWLLKQ-UHFFFAOYSA-N
XLogP-1.81
TPSA133.68 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds17
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.35
LogP ≤ 5-1.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Related Compounds

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-[2-[2-[bis(carboxymethyl)amino]ethyl-(2-oxoethyl)amino]ethyl-(carboxymethyl)amino]acetic acid;ethane
CID 164569892
2-[2-[carboxymethyl(2-oxoethyl)amino]ethyl-(2-oxoethyl)amino]acetic acid
CID 57165525
CID 131887709
CID 131887709
2-[2-[2-[2-[bis(2-nitroso-2-oxoethyl)amino]ethoxy]ethoxy]ethyl-(2-nitroso-2-oxoethyl)amino]acetic acid
CID 134447270
acetic acid;O-[2-(2-aminooxyethoxy)ethyl]hydroxylamine;2-[2-[2-[2-[bis(carboxymethyl)amino]ethoxy]ethoxy]ethyl-(carboxymethyl)amino]acetic acid
CID 173046052
2-[2-[bis(carboxymethyl)amino]ethyl-[2-[ethyl(2-oxoethyl)amino]ethyl]amino]acetic acid;ethane
CID 144635961
2-[2-[2-(hydroxymethoxy)ethoxy]ethyl-(2-oxopropyl)amino]acetic acid
CID 20692343
2-[carboxymethyl-[2-[2-[2-(2-methylpropylamino)ethoxy]ethoxy]ethyl]amino]acetic acid
CID 177180720
carbanide;2-[carboxymethyl-[2-[2-[2-(2-methylbutoxy)ethoxy]ethoxy]ethyl]amino]acetic acid;copper
CID 22956668
2-[2-[2-[2-[carboxymethyl-[2-(2-methylpropylamino)-2-oxoethyl]amino]ethoxy]ethoxy]ethyl-[2-(2-methylpropylamino)-2-oxoethyl]amino]acetic acid
CID 102241734
2-[2-(3-methoxypropoxy)ethyl-prop-2-enylamino]acetic acid
CID 103181355

Frequently Asked Questions

What is the IUPAC name of 2-[2-[2-[2-[bis(2-oxoethyl)amino]ethoxy]ethoxy]ethyl-(carboxymethyl)amino]acetic acid?
The IUPAC name of 2-[2-[2-[2-[bis(2-oxoethyl)amino]ethoxy]ethoxy]ethyl-(carboxymethyl)amino]acetic acid (CID 145210953) is 2-[2-[2-[2-[bis(2-oxoethyl)amino]ethoxy]ethoxy]ethyl-(carboxymethyl)amino]acetic acid.
What is the SMILES notation for 2-[2-[2-[2-[bis(2-oxoethyl)amino]ethoxy]ethoxy]ethyl-(carboxymethyl)amino]acetic acid?
The canonical SMILES for 2-[2-[2-[2-[bis(2-oxoethyl)amino]ethoxy]ethoxy]ethyl-(carboxymethyl)amino]acetic acid is O=CCN(CC=O)CCOCCOCCN(CC(=O)O)CC(=O)O.
What is the InChIKey of 2-[2-[2-[2-[bis(2-oxoethyl)amino]ethoxy]ethoxy]ethyl-(carboxymethyl)amino]acetic acid?
The InChIKey is BOUKHTLSGWLLKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O8/c17-5-1-15(2-6-18)3-7-23-9-10-24-8-4-16(11-13(19)20)12-14(21)22/h5-6H,1-4,7-12H2,(H,19,20)(H,21,22).
What are the key properties of 2-[2-[2-[2-[bis(2-oxoethyl)amino]ethoxy]ethoxy]ethyl-(carboxymethyl)amino]acetic acid?
2-[2-[2-[2-[bis(2-oxoethyl)amino]ethoxy]ethoxy]ethyl-(carboxymethyl)amino]acetic acid has a molecular weight of 348.35 g/mol, XLogP of -1.81, 17 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[2-[2-[bis(2-oxoethyl)amino]ethoxy]ethoxy]ethyl-(carboxymethyl)amino]acetic acid is sourced from PubChem (CID 145210953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).