2-[2-[2-[2-(2-aminoethoxy)ethoxy]ethylcarbamoylamino]ethyl-(carboxymethyl)amino]acetic acid

C13H26N4O7 — CID 11515835

IUPAC2-[2-[2-[2-(2-aminoethoxy)ethoxy]ethylcarbamoylamino]ethyl-(carboxymethyl)amino]acetic acid
SMILESNCCOCCOCCNC(=O)NCCN(CC(=O)O)CC(=O)O
InChIInChI=1S/C13H26N4O7/c14-1-5-23-7-8-24-6-3-16-13(22)15-2-4-17(9-11(18)19)10-12(20)21/h1-10,14H2,(H,18,19)(H,20,21)(H2,15,16,22)
InChIKeyMJMKVGYSHHUAFP-UHFFFAOYSA-N
MW350.37 g/mol
LogP-2.25
Rot. Bonds15

About 2-[2-[2-[2-(2-aminoethoxy)ethoxy]ethylcarbamoylamino]ethyl-(carboxymethyl)amino]acetic acid

2-[2-[2-[2-(2-aminoethoxy)ethoxy]ethylcarbamoylamino]ethyl-(carboxymethyl)amino]acetic acid (PubChem CID 11515835) has the molecular formula C13H26N4O7 and a molecular weight of 350.37 g/mol. Its IUPAC name is 2-[2-[2-[2-(2-aminoethoxy)ethoxy]ethylcarbamoylamino]ethyl-(carboxymethyl)amino]acetic acid.

Molecular Properties

Compound Name2-[2-[2-[2-(2-aminoethoxy)ethoxy]ethylcarbamoylamino]ethyl-(carboxymethyl)amino]acetic acid
PubChem CID11515835
Molecular FormulaC13H26N4O7
Molecular Weight350.37 g/mol
Exact Mass350.18
IUPAC Name2-[2-[2-[2-(2-aminoethoxy)ethoxy]ethylcarbamoylamino]ethyl-(carboxymethyl)amino]acetic acid
SMILESNCCOCCOCCNC(=O)NCCN(CC(=O)O)CC(=O)O
InChIInChI=1S/C13H26N4O7/c14-1-5-23-7-8-24-6-3-16-13(22)15-2-4-17(9-11(18)19)10-12(20)21/h1-10,14H2,(H,18,19)(H,20,21)(H2,15,16,22)
InChIKeyMJMKVGYSHHUAFP-UHFFFAOYSA-N
XLogP-2.25
TPSA163.45 Ų
H-Bond Donors5
H-Bond Acceptors7
Rotatable Bonds15
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.37
LogP ≤ 5-2.25
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

Diethyl 2,2'-[piperazine-1,4-diylbis(carbonylazanediyl)]diacetate
CID 44533096
2-[2-[2-Methoxyethyl(methyl)amino]ethylcarbamoyl-(2,2,2-trifluoroethyl)amino]acetic acid
CID 79264446
2-[2-(2-Methoxyethoxy)ethylcarbamoyl-(2,2,2-trifluoroethyl)amino]acetic acid
CID 79266737
2-[(2-Amino-2-oxoethyl)-[2-(2,2-difluoroethoxy)ethylcarbamoyl]amino]acetic acid
CID 105919206
2-[(2-Amino-2-oxoethyl)-[2-(2,2,2-trifluoroethoxy)ethylcarbamoyl]amino]acetic acid
CID 107438787
2-[2-[2-[2-[2-[2-Acetamidoethyl-[2-[2-[2-[bis(carboxymethyl)amino]ethoxy]ethoxy]ethyl-(carboxymethyl)carbamoyl]amino]ethylcarbamoyl-(carboxymethyl)amino]ethoxy]ethoxy]ethyl-(carboxymethyl)amino]acetic acid
CID 21305817
2-[2-[2-[2-[2-[[2-[2-[2-[Bis(carboxymethyl)amino]ethoxy]ethoxy]ethyl-(carboxymethyl)carbamoyl]-[2-[[2-(2-methoxyethoxy)acetyl]amino]ethyl]amino]ethylcarbamoyl-(carboxymethyl)amino]ethoxy]ethoxy]ethyl-(carboxymethyl)amino]acetic acid
CID 22895238
Ethyl 2-(2-morpholin-4-ylethylcarbamoylamino)acetate
CID 43385049
Ethyl 2-(2-acetamidoethylcarbamoylamino)acetate
CID 43398006
2-[2-[Bis(carboxymethyl)amino]ethyl-[2-[2-(2-methoxyethoxy)ethylamino]-2-oxoethyl]amino]acetic acid
CID 54341272
2-[7-[2-[2-[2-(2-Acetamidoethoxy)ethoxy]ethylamino]-2-oxo-1-[4,7,10-tris(carboxymethyl)-1,4,7,10-tetrazacyclododec-1-yl]ethyl]-4,10-bis(carboxymethyl)-1,4,7,10-tetrazacyclododec-1-yl]acetic acid
CID 57049672
2-[2-[2-[Carboxymethyl(2-ethoxyethylcarbamoyl)amino]ethylamino]ethylamino]acetic acid
CID 57080317

Frequently Asked Questions

What is the IUPAC name of 2-[2-[2-[2-(2-aminoethoxy)ethoxy]ethylcarbamoylamino]ethyl-(carboxymethyl)amino]acetic acid?
The IUPAC name of 2-[2-[2-[2-(2-aminoethoxy)ethoxy]ethylcarbamoylamino]ethyl-(carboxymethyl)amino]acetic acid (CID 11515835) is 2-[2-[2-[2-(2-aminoethoxy)ethoxy]ethylcarbamoylamino]ethyl-(carboxymethyl)amino]acetic acid.
What is the SMILES notation for 2-[2-[2-[2-(2-aminoethoxy)ethoxy]ethylcarbamoylamino]ethyl-(carboxymethyl)amino]acetic acid?
The canonical SMILES for 2-[2-[2-[2-(2-aminoethoxy)ethoxy]ethylcarbamoylamino]ethyl-(carboxymethyl)amino]acetic acid is NCCOCCOCCNC(=O)NCCN(CC(=O)O)CC(=O)O.
What is the InChIKey of 2-[2-[2-[2-(2-aminoethoxy)ethoxy]ethylcarbamoylamino]ethyl-(carboxymethyl)amino]acetic acid?
The InChIKey is MJMKVGYSHHUAFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N4O7/c14-1-5-23-7-8-24-6-3-16-13(22)15-2-4-17(9-11(18)19)10-12(20)21/h1-10,14H2,(H,18,19)(H,20,21)(H2,15,16,22).
What are the key properties of 2-[2-[2-[2-(2-aminoethoxy)ethoxy]ethylcarbamoylamino]ethyl-(carboxymethyl)amino]acetic acid?
2-[2-[2-[2-(2-aminoethoxy)ethoxy]ethylcarbamoylamino]ethyl-(carboxymethyl)amino]acetic acid has a molecular weight of 350.37 g/mol, XLogP of -2.25, 15 rotatable bonds, 5 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[2-[2-(2-aminoethoxy)ethoxy]ethylcarbamoylamino]ethyl-(carboxymethyl)amino]acetic acid is sourced from PubChem (CID 11515835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).