2-[[2-ethoxyethyl(ethyl)carbamoyl]-ethylamino]acetic acid

C11H22N2O4 — CID 63692727

IUPAC2-[[2-ethoxyethyl(ethyl)carbamoyl]-ethylamino]acetic acid
SMILESCCOCCN(CC)C(=O)N(CC)CC(=O)O
InChIInChI=1S/C11H22N2O4/c1-4-12(7-8-17-6-3)11(16)13(5-2)9-10(14)15/h4-9H2,1-3H3,(H,14,15)
InChIKeyUJBDBIQNBVEGLS-UHFFFAOYSA-N
MW246.31 g/mol
LogP0.87
Rot. Bonds8

About 2-[[2-ethoxyethyl(ethyl)carbamoyl]-ethylamino]acetic acid

2-[[2-ethoxyethyl(ethyl)carbamoyl]-ethylamino]acetic acid (PubChem CID 63692727) has the molecular formula C11H22N2O4 and a molecular weight of 246.31 g/mol. Its IUPAC name is 2-[[2-ethoxyethyl(ethyl)carbamoyl]-ethylamino]acetic acid.

Molecular Properties

Compound Name2-[[2-ethoxyethyl(ethyl)carbamoyl]-ethylamino]acetic acid
PubChem CID63692727
Molecular FormulaC11H22N2O4
Molecular Weight246.31 g/mol
Exact Mass246.16
IUPAC Name2-[[2-ethoxyethyl(ethyl)carbamoyl]-ethylamino]acetic acid
SMILESCCOCCN(CC)C(=O)N(CC)CC(=O)O
InChIInChI=1S/C11H22N2O4/c1-4-12(7-8-17-6-3)11(16)13(5-2)9-10(14)15/h4-9H2,1-3H3,(H,14,15)
InChIKeyUJBDBIQNBVEGLS-UHFFFAOYSA-N
XLogP0.87
TPSA70.08 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.31
LogP ≤ 50.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[bis(2-ethoxyethyl)carbamoyl-propylamino]acetic acid
CID 82937387
1,1,3,3-tetrakis(2-ethoxyethyl)urea
CID 54341985
2-[carboxymethyl-[2-ethoxyethyl(methyl)carbamoyl]amino]acetic acid
CID 81057647
2-[ethyl-[ethyl(2-hydroxyethyl)carbamoyl]amino]acetic acid
CID 61208217
2-[[ethyl(propyl)carbamoyl]-(2-methoxyethyl)amino]acetic acid
CID 79272261
2-[carboxymethyl-[(2-ethoxy-2-oxoethyl)-ethylcarbamoyl]amino]acetic acid
CID 63644812
2-[[butyl(ethyl)carbamoyl]-(carboxymethyl)amino]acetic acid
CID 55247073
1-(2-ethoxyethyl)-3,3-diethyl-1-methylurea
CID 115887200
2-[[2-ethoxyethyl(methyl)carbamoyl]-prop-2-ynylamino]acetic acid
CID 81056729
4-[2-ethoxyethyl(ethyl)amino]-2,3-dimethyl-4-oxobut-2-enoic acid
CID 77017357
2-[bis(2-methoxyethyl)carbamoyl-(2-methoxyethyl)amino]acetic acid
CID 79272631
2-[bis(2-amino-2-oxoethyl)carbamoyl-ethylamino]acetic acid
CID 62923700

Frequently Asked Questions

What is the IUPAC name of 2-[[2-ethoxyethyl(ethyl)carbamoyl]-ethylamino]acetic acid?
The IUPAC name of 2-[[2-ethoxyethyl(ethyl)carbamoyl]-ethylamino]acetic acid (CID 63692727) is 2-[[2-ethoxyethyl(ethyl)carbamoyl]-ethylamino]acetic acid.
What is the SMILES notation for 2-[[2-ethoxyethyl(ethyl)carbamoyl]-ethylamino]acetic acid?
The canonical SMILES for 2-[[2-ethoxyethyl(ethyl)carbamoyl]-ethylamino]acetic acid is CCOCCN(CC)C(=O)N(CC)CC(=O)O.
What is the InChIKey of 2-[[2-ethoxyethyl(ethyl)carbamoyl]-ethylamino]acetic acid?
The InChIKey is UJBDBIQNBVEGLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O4/c1-4-12(7-8-17-6-3)11(16)13(5-2)9-10(14)15/h4-9H2,1-3H3,(H,14,15).
What are the key properties of 2-[[2-ethoxyethyl(ethyl)carbamoyl]-ethylamino]acetic acid?
2-[[2-ethoxyethyl(ethyl)carbamoyl]-ethylamino]acetic acid has a molecular weight of 246.31 g/mol, XLogP of 0.87, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-ethoxyethyl(ethyl)carbamoyl]-ethylamino]acetic acid is sourced from PubChem (CID 63692727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).