2-[bis(2-methoxyethyl)carbamoyl-ethylamino]acetic acid

C11H22N2O5 — CID 61418557

IUPAC2-[bis(2-methoxyethyl)carbamoyl-ethylamino]acetic acid
SMILESCCN(CC(=O)O)C(=O)N(CCOC)CCOC
InChIInChI=1S/C11H22N2O5/c1-4-12(9-10(14)15)11(16)13(5-7-17-2)6-8-18-3/h4-9H2,1-3H3,(H,14,15)
InChIKeyNJWBIJYUOSSCPK-UHFFFAOYSA-N
MW262.31 g/mol
LogP0.11
Rot. Bonds9

About 2-[bis(2-methoxyethyl)carbamoyl-ethylamino]acetic acid

2-[bis(2-methoxyethyl)carbamoyl-ethylamino]acetic acid (PubChem CID 61418557) has the molecular formula C11H22N2O5 and a molecular weight of 262.31 g/mol. Its IUPAC name is 2-[bis(2-methoxyethyl)carbamoyl-ethylamino]acetic acid.

Molecular Properties

Compound Name2-[bis(2-methoxyethyl)carbamoyl-ethylamino]acetic acid
PubChem CID61418557
Molecular FormulaC11H22N2O5
Molecular Weight262.31 g/mol
Exact Mass262.15
IUPAC Name2-[bis(2-methoxyethyl)carbamoyl-ethylamino]acetic acid
SMILESCCN(CC(=O)O)C(=O)N(CCOC)CCOC
InChIInChI=1S/C11H22N2O5/c1-4-12(9-10(14)15)11(16)13(5-7-17-2)6-8-18-3/h4-9H2,1-3H3,(H,14,15)
InChIKeyNJWBIJYUOSSCPK-UHFFFAOYSA-N
XLogP0.11
TPSA79.31 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.31
LogP ≤ 50.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[bis(2-methoxyethyl)carbamoyl-ethylamino]acetic acid?
The IUPAC name of 2-[bis(2-methoxyethyl)carbamoyl-ethylamino]acetic acid (CID 61418557) is 2-[bis(2-methoxyethyl)carbamoyl-ethylamino]acetic acid.
What is the SMILES notation for 2-[bis(2-methoxyethyl)carbamoyl-ethylamino]acetic acid?
The canonical SMILES for 2-[bis(2-methoxyethyl)carbamoyl-ethylamino]acetic acid is CCN(CC(=O)O)C(=O)N(CCOC)CCOC.
What is the InChIKey of 2-[bis(2-methoxyethyl)carbamoyl-ethylamino]acetic acid?
The InChIKey is NJWBIJYUOSSCPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O5/c1-4-12(9-10(14)15)11(16)13(5-7-17-2)6-8-18-3/h4-9H2,1-3H3,(H,14,15).
What are the key properties of 2-[bis(2-methoxyethyl)carbamoyl-ethylamino]acetic acid?
2-[bis(2-methoxyethyl)carbamoyl-ethylamino]acetic acid has a molecular weight of 262.31 g/mol, XLogP of 0.11, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[bis(2-methoxyethyl)carbamoyl-ethylamino]acetic acid is sourced from PubChem (CID 61418557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).