2-(2-methoxyethoxy)ethyl 4-oxo-4-(propylamino)butanoate

C12H23NO5 — CID 23535301

IUPAC2-(2-methoxyethoxy)ethyl 4-oxo-4-(propylamino)butanoate
SMILESCCCNC(=O)CCC(=O)OCCOCCOC
InChIInChI=1S/C12H23NO5/c1-3-6-13-11(14)4-5-12(15)18-10-9-17-8-7-16-2/h3-10H2,1-2H3,(H,13,14)
InChIKeyFMJWIMZGSXHFGE-UHFFFAOYSA-N
MW261.32 g/mol
LogP0.50
Rot. Bonds11

About 2-(2-methoxyethoxy)ethyl 4-oxo-4-(propylamino)butanoate

2-(2-methoxyethoxy)ethyl 4-oxo-4-(propylamino)butanoate (PubChem CID 23535301) has the molecular formula C12H23NO5 and a molecular weight of 261.32 g/mol. Its IUPAC name is 2-(2-methoxyethoxy)ethyl 4-oxo-4-(propylamino)butanoate.

Molecular Properties

Compound Name2-(2-methoxyethoxy)ethyl 4-oxo-4-(propylamino)butanoate
PubChem CID23535301
Molecular FormulaC12H23NO5
Molecular Weight261.32 g/mol
Exact Mass261.16
IUPAC Name2-(2-methoxyethoxy)ethyl 4-oxo-4-(propylamino)butanoate
SMILESCCCNC(=O)CCC(=O)OCCOCCOC
InChIInChI=1S/C12H23NO5/c1-3-6-13-11(14)4-5-12(15)18-10-9-17-8-7-16-2/h3-10H2,1-2H3,(H,13,14)
InChIKeyFMJWIMZGSXHFGE-UHFFFAOYSA-N
XLogP0.50
TPSA73.86 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.32
LogP ≤ 50.50
H-Bond Donors ≤ 51
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-methoxyethoxy)ethyl 4-oxo-4-(propylamino)butanoate?
The IUPAC name of 2-(2-methoxyethoxy)ethyl 4-oxo-4-(propylamino)butanoate (CID 23535301) is 2-(2-methoxyethoxy)ethyl 4-oxo-4-(propylamino)butanoate.
What is the SMILES notation for 2-(2-methoxyethoxy)ethyl 4-oxo-4-(propylamino)butanoate?
The canonical SMILES for 2-(2-methoxyethoxy)ethyl 4-oxo-4-(propylamino)butanoate is CCCNC(=O)CCC(=O)OCCOCCOC.
What is the InChIKey of 2-(2-methoxyethoxy)ethyl 4-oxo-4-(propylamino)butanoate?
The InChIKey is FMJWIMZGSXHFGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NO5/c1-3-6-13-11(14)4-5-12(15)18-10-9-17-8-7-16-2/h3-10H2,1-2H3,(H,13,14).
What are the key properties of 2-(2-methoxyethoxy)ethyl 4-oxo-4-(propylamino)butanoate?
2-(2-methoxyethoxy)ethyl 4-oxo-4-(propylamino)butanoate has a molecular weight of 261.32 g/mol, XLogP of 0.50, 11 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methoxyethoxy)ethyl 4-oxo-4-(propylamino)butanoate is sourced from PubChem (CID 23535301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).