2-[2-[2-[carboxymethyl(2-ethoxyethylcarbamoyl)amino]ethylamino]ethylamino]acetic acid

C13H26N4O6 — CID 57080317

IUPAC2-[2-[2-[carboxymethyl(2-ethoxyethylcarbamoyl)amino]ethylamino]ethylamino]acetic acid
SMILESCCOCCNC(=O)N(CCNCCNCC(=O)O)CC(=O)O
InChIInChI=1S/C13H26N4O6/c1-2-23-8-6-16-13(22)17(10-12(20)21)7-5-14-3-4-15-9-11(18)19/h14-15H,2-10H2,1H3,(H,16,22)(H,18,19)(H,20,21)
InChIKeyMIYOMPMXMVELJO-UHFFFAOYSA-N
MW334.37 g/mol
LogP-1.62
Rot. Bonds14

About 2-[2-[2-[carboxymethyl(2-ethoxyethylcarbamoyl)amino]ethylamino]ethylamino]acetic acid

2-[2-[2-[carboxymethyl(2-ethoxyethylcarbamoyl)amino]ethylamino]ethylamino]acetic acid (PubChem CID 57080317) has the molecular formula C13H26N4O6 and a molecular weight of 334.37 g/mol. Its IUPAC name is 2-[2-[2-[carboxymethyl(2-ethoxyethylcarbamoyl)amino]ethylamino]ethylamino]acetic acid.

Molecular Properties

Compound Name2-[2-[2-[carboxymethyl(2-ethoxyethylcarbamoyl)amino]ethylamino]ethylamino]acetic acid
PubChem CID57080317
Molecular FormulaC13H26N4O6
Molecular Weight334.37 g/mol
Exact Mass334.19
IUPAC Name2-[2-[2-[carboxymethyl(2-ethoxyethylcarbamoyl)amino]ethylamino]ethylamino]acetic acid
SMILESCCOCCNC(=O)N(CCNCCNCC(=O)O)CC(=O)O
InChIInChI=1S/C13H26N4O6/c1-2-23-8-6-16-13(22)17(10-12(20)21)7-5-14-3-4-15-9-11(18)19/h14-15H,2-10H2,1H3,(H,16,22)(H,18,19)(H,20,21)
InChIKeyMIYOMPMXMVELJO-UHFFFAOYSA-N
XLogP-1.62
TPSA140.23 Ų
H-Bond Donors5
H-Bond Acceptors6
Rotatable Bonds14
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.37
LogP ≤ 5-1.62
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[2-[2-[carboxymethyl(2-ethoxyethylcarbamoyl)amino]ethylamino]ethylamino]acetic acid?
The IUPAC name of 2-[2-[2-[carboxymethyl(2-ethoxyethylcarbamoyl)amino]ethylamino]ethylamino]acetic acid (CID 57080317) is 2-[2-[2-[carboxymethyl(2-ethoxyethylcarbamoyl)amino]ethylamino]ethylamino]acetic acid.
What is the SMILES notation for 2-[2-[2-[carboxymethyl(2-ethoxyethylcarbamoyl)amino]ethylamino]ethylamino]acetic acid?
The canonical SMILES for 2-[2-[2-[carboxymethyl(2-ethoxyethylcarbamoyl)amino]ethylamino]ethylamino]acetic acid is CCOCCNC(=O)N(CCNCCNCC(=O)O)CC(=O)O.
What is the InChIKey of 2-[2-[2-[carboxymethyl(2-ethoxyethylcarbamoyl)amino]ethylamino]ethylamino]acetic acid?
The InChIKey is MIYOMPMXMVELJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N4O6/c1-2-23-8-6-16-13(22)17(10-12(20)21)7-5-14-3-4-15-9-11(18)19/h14-15H,2-10H2,1H3,(H,16,22)(H,18,19)(H,20,21).
What are the key properties of 2-[2-[2-[carboxymethyl(2-ethoxyethylcarbamoyl)amino]ethylamino]ethylamino]acetic acid?
2-[2-[2-[carboxymethyl(2-ethoxyethylcarbamoyl)amino]ethylamino]ethylamino]acetic acid has a molecular weight of 334.37 g/mol, XLogP of -1.62, 14 rotatable bonds, 5 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[2-[carboxymethyl(2-ethoxyethylcarbamoyl)amino]ethylamino]ethylamino]acetic acid is sourced from PubChem (CID 57080317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).