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

C18H33N3O8 — CID 156509209

IUPAC2-[2-[carboxymethyl-(2-ethoxy-2-oxoethyl)amino]ethyl-[2-[(2-ethoxy-2-oxoethyl)-ethylamino]ethyl]amino]acetic acid
SMILESCCOC(=O)CN(CC)CCN(CCN(CC(=O)O)CC(=O)OCC)CC(=O)O
InChIInChI=1S/C18H33N3O8/c1-4-19(13-17(26)28-5-2)7-8-20(11-15(22)23)9-10-21(12-16(24)25)14-18(27)29-6-3/h4-14H2,1-3H3,(H,22,23)(H,24,25)
InChIKeyMWIUEYBXQZYKBL-UHFFFAOYSA-N
MW419.48 g/mol
LogP-0.79
Rot. Bonds17

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

2-[2-[carboxymethyl-(2-ethoxy-2-oxoethyl)amino]ethyl-[2-[(2-ethoxy-2-oxoethyl)-ethylamino]ethyl]amino]acetic acid (PubChem CID 156509209) has the molecular formula C18H33N3O8 and a molecular weight of 419.48 g/mol. Its IUPAC name is 2-[2-[carboxymethyl-(2-ethoxy-2-oxoethyl)amino]ethyl-[2-[(2-ethoxy-2-oxoethyl)-ethylamino]ethyl]amino]acetic acid.

Molecular Properties

Compound Name2-[2-[carboxymethyl-(2-ethoxy-2-oxoethyl)amino]ethyl-[2-[(2-ethoxy-2-oxoethyl)-ethylamino]ethyl]amino]acetic acid
PubChem CID156509209
Molecular FormulaC18H33N3O8
Molecular Weight419.48 g/mol
Exact Mass419.23
IUPAC Name2-[2-[carboxymethyl-(2-ethoxy-2-oxoethyl)amino]ethyl-[2-[(2-ethoxy-2-oxoethyl)-ethylamino]ethyl]amino]acetic acid
SMILESCCOC(=O)CN(CC)CCN(CCN(CC(=O)O)CC(=O)OCC)CC(=O)O
InChIInChI=1S/C18H33N3O8/c1-4-19(13-17(26)28-5-2)7-8-20(11-15(22)23)9-10-21(12-16(24)25)14-18(27)29-6-3/h4-14H2,1-3H3,(H,22,23)(H,24,25)
InChIKeyMWIUEYBXQZYKBL-UHFFFAOYSA-N
XLogP-0.79
TPSA136.92 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds17
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.48
LogP ≤ 5-0.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

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Related Compounds

2-[carboxymethyl-[2-[carboxymethyl-[2-(2-ethoxyethoxy)-2-oxoethyl]amino]ethyl]amino]acetic acid
CID 174960302
ethane;ethyl 2-[ethyl(2-methoxyethyl)amino]acetate
CID 156838372
2-[2-[carboxymethyl-[2-(3-methylbutanoyloxy)-2-oxoethyl]amino]ethyl-[2-[ethyl-[2-(3-methylbutanoyloxy)-2-oxoethyl]amino]ethyl]amino]acetic acid
CID 163921908
ethyl 2-[ethyl(heptyl)amino]acetate
CID 55208036
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
2-[[2-[carboxymethyl-[2-[carboxymethyl(ethyl)amino]ethyl]amino]acetyl]-methylamino]acetic acid
CID 143021592
ethyl 2-[ethyl(5-hydroxypentyl)amino]acetate
CID 55210801
azane;2-[bis[2-[bis(carboxymethyl)amino]ethyl]amino]acetic acid;ruthenium
CID 173217392
2-[ethyl-[2-[ethyl(2-oxopropyl)amino]ethyl]amino]acetic acid
CID 134601961
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-aminoethyl(ethyl)amino]acetic acid
CID 22667567
ethyl 2-[ethyl(3-ethylsulfonylpropyl)amino]acetate
CID 65095633

Frequently Asked Questions

What is the IUPAC name of 2-[2-[carboxymethyl-(2-ethoxy-2-oxoethyl)amino]ethyl-[2-[(2-ethoxy-2-oxoethyl)-ethylamino]ethyl]amino]acetic acid?
The IUPAC name of 2-[2-[carboxymethyl-(2-ethoxy-2-oxoethyl)amino]ethyl-[2-[(2-ethoxy-2-oxoethyl)-ethylamino]ethyl]amino]acetic acid (CID 156509209) is 2-[2-[carboxymethyl-(2-ethoxy-2-oxoethyl)amino]ethyl-[2-[(2-ethoxy-2-oxoethyl)-ethylamino]ethyl]amino]acetic acid.
What is the SMILES notation for 2-[2-[carboxymethyl-(2-ethoxy-2-oxoethyl)amino]ethyl-[2-[(2-ethoxy-2-oxoethyl)-ethylamino]ethyl]amino]acetic acid?
The canonical SMILES for 2-[2-[carboxymethyl-(2-ethoxy-2-oxoethyl)amino]ethyl-[2-[(2-ethoxy-2-oxoethyl)-ethylamino]ethyl]amino]acetic acid is CCOC(=O)CN(CC)CCN(CCN(CC(=O)O)CC(=O)OCC)CC(=O)O.
What is the InChIKey of 2-[2-[carboxymethyl-(2-ethoxy-2-oxoethyl)amino]ethyl-[2-[(2-ethoxy-2-oxoethyl)-ethylamino]ethyl]amino]acetic acid?
The InChIKey is MWIUEYBXQZYKBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H33N3O8/c1-4-19(13-17(26)28-5-2)7-8-20(11-15(22)23)9-10-21(12-16(24)25)14-18(27)29-6-3/h4-14H2,1-3H3,(H,22,23)(H,24,25).
What are the key properties of 2-[2-[carboxymethyl-(2-ethoxy-2-oxoethyl)amino]ethyl-[2-[(2-ethoxy-2-oxoethyl)-ethylamino]ethyl]amino]acetic acid?
2-[2-[carboxymethyl-(2-ethoxy-2-oxoethyl)amino]ethyl-[2-[(2-ethoxy-2-oxoethyl)-ethylamino]ethyl]amino]acetic acid has a molecular weight of 419.48 g/mol, XLogP of -0.79, 17 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[carboxymethyl-(2-ethoxy-2-oxoethyl)amino]ethyl-[2-[(2-ethoxy-2-oxoethyl)-ethylamino]ethyl]amino]acetic acid is sourced from PubChem (CID 156509209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).