2-[[2-[(4-ethoxy-4-oxobutyl)amino]-2-oxoethyl]-methylamino]acetic acid

C11H20N2O5 — CID 43442490

IUPAC2-[[2-[(4-ethoxy-4-oxobutyl)amino]-2-oxoethyl]-methylamino]acetic acid
SMILESCCOC(=O)CCCNC(=O)CN(C)CC(=O)O
InChIInChI=1S/C11H20N2O5/c1-3-18-11(17)5-4-6-12-9(14)7-13(2)8-10(15)16/h3-8H2,1-2H3,(H,12,14)(H,15,16)
InChIKeyXTQVKRRIBGXUTR-UHFFFAOYSA-N
MW260.29 g/mol
LogP-0.54
Rot. Bonds9

About 2-[[2-[(4-ethoxy-4-oxobutyl)amino]-2-oxoethyl]-methylamino]acetic acid

2-[[2-[(4-ethoxy-4-oxobutyl)amino]-2-oxoethyl]-methylamino]acetic acid (PubChem CID 43442490) has the molecular formula C11H20N2O5 and a molecular weight of 260.29 g/mol. Its IUPAC name is 2-[[2-[(4-ethoxy-4-oxobutyl)amino]-2-oxoethyl]-methylamino]acetic acid.

Molecular Properties

Compound Name2-[[2-[(4-ethoxy-4-oxobutyl)amino]-2-oxoethyl]-methylamino]acetic acid
PubChem CID43442490
Molecular FormulaC11H20N2O5
Molecular Weight260.29 g/mol
Exact Mass260.14
IUPAC Name2-[[2-[(4-ethoxy-4-oxobutyl)amino]-2-oxoethyl]-methylamino]acetic acid
SMILESCCOC(=O)CCCNC(=O)CN(C)CC(=O)O
InChIInChI=1S/C11H20N2O5/c1-3-18-11(17)5-4-6-12-9(14)7-13(2)8-10(15)16/h3-8H2,1-2H3,(H,12,14)(H,15,16)
InChIKeyXTQVKRRIBGXUTR-UHFFFAOYSA-N
XLogP-0.54
TPSA95.94 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.29
LogP ≤ 5-0.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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-[(4-ethoxy-4-oxobutyl)amino]-2-oxoethyl]-methylamino]acetic acid?
The IUPAC name of 2-[[2-[(4-ethoxy-4-oxobutyl)amino]-2-oxoethyl]-methylamino]acetic acid (CID 43442490) is 2-[[2-[(4-ethoxy-4-oxobutyl)amino]-2-oxoethyl]-methylamino]acetic acid.
What is the SMILES notation for 2-[[2-[(4-ethoxy-4-oxobutyl)amino]-2-oxoethyl]-methylamino]acetic acid?
The canonical SMILES for 2-[[2-[(4-ethoxy-4-oxobutyl)amino]-2-oxoethyl]-methylamino]acetic acid is CCOC(=O)CCCNC(=O)CN(C)CC(=O)O.
What is the InChIKey of 2-[[2-[(4-ethoxy-4-oxobutyl)amino]-2-oxoethyl]-methylamino]acetic acid?
The InChIKey is XTQVKRRIBGXUTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O5/c1-3-18-11(17)5-4-6-12-9(14)7-13(2)8-10(15)16/h3-8H2,1-2H3,(H,12,14)(H,15,16).
What are the key properties of 2-[[2-[(4-ethoxy-4-oxobutyl)amino]-2-oxoethyl]-methylamino]acetic acid?
2-[[2-[(4-ethoxy-4-oxobutyl)amino]-2-oxoethyl]-methylamino]acetic acid has a molecular weight of 260.29 g/mol, XLogP of -0.54, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-[(4-ethoxy-4-oxobutyl)amino]-2-oxoethyl]-methylamino]acetic acid is sourced from PubChem (CID 43442490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).