2-[(2-methoxy-2-oxoethyl)-[2-[(2-methoxy-2-oxoethyl)amino]ethyl]amino]acetic acid

C10H18N2O6 — CID 23196993

IUPAC2-[(2-methoxy-2-oxoethyl)-[2-[(2-methoxy-2-oxoethyl)amino]ethyl]amino]acetic acid
SMILESCOC(=O)CNCCN(CC(=O)O)CC(=O)OC
InChIInChI=1S/C10H18N2O6/c1-17-9(15)5-11-3-4-12(6-8(13)14)7-10(16)18-2/h11H,3-7H2,1-2H3,(H,13,14)
InChIKeyOKINCWLNSUJDQV-UHFFFAOYSA-N
MW262.26 g/mol
LogP-1.69
Rot. Bonds9

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

2-[(2-methoxy-2-oxoethyl)-[2-[(2-methoxy-2-oxoethyl)amino]ethyl]amino]acetic acid (PubChem CID 23196993) has the molecular formula C10H18N2O6 and a molecular weight of 262.26 g/mol. Its IUPAC name is 2-[(2-methoxy-2-oxoethyl)-[2-[(2-methoxy-2-oxoethyl)amino]ethyl]amino]acetic acid.

Molecular Properties

Compound Name2-[(2-methoxy-2-oxoethyl)-[2-[(2-methoxy-2-oxoethyl)amino]ethyl]amino]acetic acid
PubChem CID23196993
Molecular FormulaC10H18N2O6
Molecular Weight262.26 g/mol
Exact Mass262.12
IUPAC Name2-[(2-methoxy-2-oxoethyl)-[2-[(2-methoxy-2-oxoethyl)amino]ethyl]amino]acetic acid
SMILESCOC(=O)CNCCN(CC(=O)O)CC(=O)OC
InChIInChI=1S/C10H18N2O6/c1-17-9(15)5-11-3-4-12(6-8(13)14)7-10(16)18-2/h11H,3-7H2,1-2H3,(H,13,14)
InChIKeyOKINCWLNSUJDQV-UHFFFAOYSA-N
XLogP-1.69
TPSA105.17 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.26
LogP ≤ 5-1.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

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-[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-[bis(carboxymethyl)amino]ethylamino]acetic acid;copper
CID 155766345
benzene;2-[carboxymethyl-(2-methoxy-2-oxoethyl)amino]acetic acid
CID 158824868
2-[2-[carboxymethyl(2-oxopropyl)amino]ethylamino]acetic acid
CID 89065642
2-[2-[carboxymethyl(propyl)amino]ethylamino]acetic acid
CID 143929196
2-[2-[carboxymethyl-[2-[carboxymethyl(ethyl)amino]ethyl]amino]ethylamino]acetic acid
CID 89045001
2-[carboxymethyl-[2-[2-[carboxymethyl-(2-hexoxy-2-oxoethyl)amino]ethylamino]ethyl]amino]acetic acid
CID 91576215
ethane;methyl 2-(2-hydroxyethylamino)acetate
CID 178001522
methyl 2-[2-chloroethyl-(2-methoxy-2-oxoethyl)amino]acetate
CID 139666753
2-[2-[carboxymethyl-[2-[carboxymethyl-[2-[[2-(2,5-dioxopyrrolidin-1-yl)oxy-2-oxoethyl]amino]ethyl]amino]ethyl]amino]ethyl-propylamino]acetic acid
CID 118016859
6-[bis(2-methoxy-2-oxoethyl)amino]hexanoic acid
CID 86014416

Frequently Asked Questions

What is the IUPAC name of 2-[(2-methoxy-2-oxoethyl)-[2-[(2-methoxy-2-oxoethyl)amino]ethyl]amino]acetic acid?
The IUPAC name of 2-[(2-methoxy-2-oxoethyl)-[2-[(2-methoxy-2-oxoethyl)amino]ethyl]amino]acetic acid (CID 23196993) is 2-[(2-methoxy-2-oxoethyl)-[2-[(2-methoxy-2-oxoethyl)amino]ethyl]amino]acetic acid.
What is the SMILES notation for 2-[(2-methoxy-2-oxoethyl)-[2-[(2-methoxy-2-oxoethyl)amino]ethyl]amino]acetic acid?
The canonical SMILES for 2-[(2-methoxy-2-oxoethyl)-[2-[(2-methoxy-2-oxoethyl)amino]ethyl]amino]acetic acid is COC(=O)CNCCN(CC(=O)O)CC(=O)OC.
What is the InChIKey of 2-[(2-methoxy-2-oxoethyl)-[2-[(2-methoxy-2-oxoethyl)amino]ethyl]amino]acetic acid?
The InChIKey is OKINCWLNSUJDQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2O6/c1-17-9(15)5-11-3-4-12(6-8(13)14)7-10(16)18-2/h11H,3-7H2,1-2H3,(H,13,14).
What are the key properties of 2-[(2-methoxy-2-oxoethyl)-[2-[(2-methoxy-2-oxoethyl)amino]ethyl]amino]acetic acid?
2-[(2-methoxy-2-oxoethyl)-[2-[(2-methoxy-2-oxoethyl)amino]ethyl]amino]acetic acid has a molecular weight of 262.26 g/mol, XLogP of -1.69, 9 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-methoxy-2-oxoethyl)-[2-[(2-methoxy-2-oxoethyl)amino]ethyl]amino]acetic acid is sourced from PubChem (CID 23196993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).