2-(2-methoxyethoxy)ethyl 5-(aminomethyl)oxolane-2-carboxylate

C11H21NO5 — CID 104563407

IUPAC2-(2-methoxyethoxy)ethyl 5-(aminomethyl)oxolane-2-carboxylate
SMILESCOCCOCCOC(=O)C1CCC(CN)O1
InChIInChI=1S/C11H21NO5/c1-14-4-5-15-6-7-16-11(13)10-3-2-9(8-12)17-10/h9-10H,2-8,12H2,1H3
InChIKeyQSHDUXJFSVJILK-UHFFFAOYSA-N
MW247.29 g/mol
LogP-0.30
Rot. Bonds8

About 2-(2-methoxyethoxy)ethyl 5-(aminomethyl)oxolane-2-carboxylate

2-(2-methoxyethoxy)ethyl 5-(aminomethyl)oxolane-2-carboxylate (PubChem CID 104563407) has the molecular formula C11H21NO5 and a molecular weight of 247.29 g/mol. Its IUPAC name is 2-(2-methoxyethoxy)ethyl 5-(aminomethyl)oxolane-2-carboxylate.

Molecular Properties

Compound Name2-(2-methoxyethoxy)ethyl 5-(aminomethyl)oxolane-2-carboxylate
PubChem CID104563407
Molecular FormulaC11H21NO5
Molecular Weight247.29 g/mol
Exact Mass247.14
IUPAC Name2-(2-methoxyethoxy)ethyl 5-(aminomethyl)oxolane-2-carboxylate
SMILESCOCCOCCOC(=O)C1CCC(CN)O1
InChIInChI=1S/C11H21NO5/c1-14-4-5-15-6-7-16-11(13)10-3-2-9(8-12)17-10/h9-10H,2-8,12H2,1H3
InChIKeyQSHDUXJFSVJILK-UHFFFAOYSA-N
XLogP-0.30
TPSA80.01 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.29
LogP ≤ 5-0.30
H-Bond Donors ≤ 51
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-methoxyethoxy)ethyl 5-(aminomethyl)oxolane-2-carboxylate?
The IUPAC name of 2-(2-methoxyethoxy)ethyl 5-(aminomethyl)oxolane-2-carboxylate (CID 104563407) is 2-(2-methoxyethoxy)ethyl 5-(aminomethyl)oxolane-2-carboxylate.
What is the SMILES notation for 2-(2-methoxyethoxy)ethyl 5-(aminomethyl)oxolane-2-carboxylate?
The canonical SMILES for 2-(2-methoxyethoxy)ethyl 5-(aminomethyl)oxolane-2-carboxylate is COCCOCCOC(=O)C1CCC(CN)O1.
What is the InChIKey of 2-(2-methoxyethoxy)ethyl 5-(aminomethyl)oxolane-2-carboxylate?
The InChIKey is QSHDUXJFSVJILK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO5/c1-14-4-5-15-6-7-16-11(13)10-3-2-9(8-12)17-10/h9-10H,2-8,12H2,1H3.
What are the key properties of 2-(2-methoxyethoxy)ethyl 5-(aminomethyl)oxolane-2-carboxylate?
2-(2-methoxyethoxy)ethyl 5-(aminomethyl)oxolane-2-carboxylate has a molecular weight of 247.29 g/mol, XLogP of -0.30, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methoxyethoxy)ethyl 5-(aminomethyl)oxolane-2-carboxylate is sourced from PubChem (CID 104563407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).