2-[2-[2-[2-[bis(carboxylatomethyl)amino]ethoxy]ethoxy]ethyl-(carboxylatomethyl)amino]acetate

C14H20N2O10-4 — CID 5461084

IUPAC2-[2-[2-[2-[bis(carboxylatomethyl)amino]ethoxy]ethoxy]ethyl-(carboxylatomethyl)amino]acetate
SMILESO=C([O-])CN(CCOCCOCCN(CC(=O)[O-])CC(=O)[O-])CC(=O)[O-]
InChIInChI=1S/C14H24N2O10/c17-11(18)7-15(8-12(19)20)1-3-25-5-6-26-4-2-16(9-13(21)22)10-14(23)24/h1-10H2,(H,17,18)(H,19,20)(H,21,22)(H,23,24)/p-4
InChIKeyDEFVIWRASFVYLL-UHFFFAOYSA-J
MW376.32 g/mol
LogP-7.38
Rot. Bonds17

About 2-[2-[2-[2-[bis(carboxylatomethyl)amino]ethoxy]ethoxy]ethyl-(carboxylatomethyl)amino]acetate

2-[2-[2-[2-[bis(carboxylatomethyl)amino]ethoxy]ethoxy]ethyl-(carboxylatomethyl)amino]acetate (PubChem CID 5461084) has the molecular formula C14H20N2O10-4 and a molecular weight of 376.32 g/mol. Its IUPAC name is 2-[2-[2-[2-[bis(carboxylatomethyl)amino]ethoxy]ethoxy]ethyl-(carboxylatomethyl)amino]acetate.

Molecular Properties

Compound Name2-[2-[2-[2-[bis(carboxylatomethyl)amino]ethoxy]ethoxy]ethyl-(carboxylatomethyl)amino]acetate
PubChem CID5461084
Molecular FormulaC14H20N2O10-4
Molecular Weight376.32 g/mol
Exact Mass376.11
IUPAC Name2-[2-[2-[2-[bis(carboxylatomethyl)amino]ethoxy]ethoxy]ethyl-(carboxylatomethyl)amino]acetate
SMILESO=C([O-])CN(CCOCCOCCN(CC(=O)[O-])CC(=O)[O-])CC(=O)[O-]
InChIInChI=1S/C14H24N2O10/c17-11(18)7-15(8-12(19)20)1-3-25-5-6-26-4-2-16(9-13(21)22)10-14(23)24/h1-10H2,(H,17,18)(H,19,20)(H,21,22)(H,23,24)/p-4
InChIKeyDEFVIWRASFVYLL-UHFFFAOYSA-J
XLogP-7.38
TPSA185.46 Ų
H-Bond Donors
H-Bond Acceptors12
Rotatable Bonds17
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500376.32
LogP ≤ 5-7.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1012

Computed Properties (RDKit)

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

Analyze 2-[2-[2-[2-[bis(carboxylatomethyl)amino]ethoxy]ethoxy]ethyl-(carboxylatomethyl)amino]acetate 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

Egta
CID 6207
Glycine, N,N-diethyl-, ethyl ester
CID 75843
2,2'-(1,4,10,13-Tetraoxa-7,16-diazacyclooctadecane-7,16-diyl)diacetic acid
CID 658431
Bis(2-aminoethyl) ether N,N,N',N'-tetraacetic acid
CID 13540
Ethyl N-(2-ethoxy-2-oxoethyl)-N-methylglycinate
CID 79432
Egta disodium
CID 35848
ethylene glycol-bis(beta-aminoethyl ether)-n,n,n',n'-tetraacetic acid tetrasodium salt
CID 16219327
Methyl 2-[bis(2-methoxyethyl)amino]acetate
CID 47010756
Glycine, N,N'-(1,2-ethanediylbis(oxy-2,1-ethanediyl)bis(N-(carboxymethyl)-, calcium sodium salt (1:1:2)
CID 210572
Egta ethyl ester
CID 127371
Diethyl 2,2'-(1,7-dioxa-4,10-diazacyclododecane-4,10-diyl)diacetate
CID 762955
2,2'-(1,4,10-Trioxa-7,13-diazacyclopentadecane-7,13-diyl)diacetic acid
CID 13743233

Frequently Asked Questions

What is the IUPAC name of 2-[2-[2-[2-[bis(carboxylatomethyl)amino]ethoxy]ethoxy]ethyl-(carboxylatomethyl)amino]acetate?
The IUPAC name of 2-[2-[2-[2-[bis(carboxylatomethyl)amino]ethoxy]ethoxy]ethyl-(carboxylatomethyl)amino]acetate (CID 5461084) is 2-[2-[2-[2-[bis(carboxylatomethyl)amino]ethoxy]ethoxy]ethyl-(carboxylatomethyl)amino]acetate.
What is the SMILES notation for 2-[2-[2-[2-[bis(carboxylatomethyl)amino]ethoxy]ethoxy]ethyl-(carboxylatomethyl)amino]acetate?
The canonical SMILES for 2-[2-[2-[2-[bis(carboxylatomethyl)amino]ethoxy]ethoxy]ethyl-(carboxylatomethyl)amino]acetate is O=C([O-])CN(CCOCCOCCN(CC(=O)[O-])CC(=O)[O-])CC(=O)[O-].
What is the InChIKey of 2-[2-[2-[2-[bis(carboxylatomethyl)amino]ethoxy]ethoxy]ethyl-(carboxylatomethyl)amino]acetate?
The InChIKey is DEFVIWRASFVYLL-UHFFFAOYSA-J. The full InChI is InChI=1S/C14H24N2O10/c17-11(18)7-15(8-12(19)20)1-3-25-5-6-26-4-2-16(9-13(21)22)10-14(23)24/h1-10H2,(H,17,18)(H,19,20)(H,21,22)(H,23,24)/p-4.
What are the key properties of 2-[2-[2-[2-[bis(carboxylatomethyl)amino]ethoxy]ethoxy]ethyl-(carboxylatomethyl)amino]acetate?
2-[2-[2-[2-[bis(carboxylatomethyl)amino]ethoxy]ethoxy]ethyl-(carboxylatomethyl)amino]acetate has a molecular weight of 376.32 g/mol, XLogP of -7.38, 17 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[2-[2-[bis(carboxylatomethyl)amino]ethoxy]ethoxy]ethyl-(carboxylatomethyl)amino]acetate is sourced from PubChem (CID 5461084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).