2-[2-(2-methoxyethoxy)ethoxy]ethyl 4-aminooxolane-3-carboxylate

C12H23NO6 — CID 104563231

IUPAC2-[2-(2-methoxyethoxy)ethoxy]ethyl 4-aminooxolane-3-carboxylate
SMILESCOCCOCCOCCOC(=O)C1COCC1N
InChIInChI=1S/C12H23NO6/c1-15-2-3-16-4-5-17-6-7-19-12(14)10-8-18-9-11(10)13/h10-11H,2-9,13H2,1H3
InChIKeyPAZYSGURTUOYIM-UHFFFAOYSA-N
MW277.32 g/mol
LogP-0.82
Rot. Bonds10

About 2-[2-(2-methoxyethoxy)ethoxy]ethyl 4-aminooxolane-3-carboxylate

2-[2-(2-methoxyethoxy)ethoxy]ethyl 4-aminooxolane-3-carboxylate (PubChem CID 104563231) has the molecular formula C12H23NO6 and a molecular weight of 277.32 g/mol. Its IUPAC name is 2-[2-(2-methoxyethoxy)ethoxy]ethyl 4-aminooxolane-3-carboxylate.

Molecular Properties

Compound Name2-[2-(2-methoxyethoxy)ethoxy]ethyl 4-aminooxolane-3-carboxylate
PubChem CID104563231
Molecular FormulaC12H23NO6
Molecular Weight277.32 g/mol
Exact Mass277.15
IUPAC Name2-[2-(2-methoxyethoxy)ethoxy]ethyl 4-aminooxolane-3-carboxylate
SMILESCOCCOCCOCCOC(=O)C1COCC1N
InChIInChI=1S/C12H23NO6/c1-15-2-3-16-4-5-17-6-7-19-12(14)10-8-18-9-11(10)13/h10-11H,2-9,13H2,1H3
InChIKeyPAZYSGURTUOYIM-UHFFFAOYSA-N
XLogP-0.82
TPSA89.24 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.32
LogP ≤ 5-0.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

2-cyclopropylethyl 4-aminooxolane-3-carboxylate
CID 106202631
2-methylpropyl 4-aminooxolane-3-carboxylate
CID 66239922
4-amino-N-(4-methoxybutan-2-yl)oxolane-3-carboxamide
CID 66237512
tert-butyl 4-aminooxolane-3-carboxylate
CID 66239321
cycloheptylmethyl 4-aminooxolane-3-carboxylate
CID 114248590
2-[2-(2-methoxyethoxy)ethoxy]ethyl cyclobutanecarboxylate
CID 10192770
bis[2-(2-methoxyethoxy)ethyl] oxathiane-5,6-dicarboxylate
CID 142638372
2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl bicyclo[2.2.1]hept-5-ene-2-carboxylate
CID 171770545
2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl bicyclo[2.2.1]hept-5-ene-2-carboxylate
CID 171770501
pentan-2-yl 4-aminooxolane-3-carboxylate
CID 102982710
2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl bicyclo[2.2.1]hept-5-ene-2-carboxylate
CID 102406516
4-amino-N-(2-ethoxyethyl)oxolane-3-carboxamide
CID 66239012

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2-methoxyethoxy)ethoxy]ethyl 4-aminooxolane-3-carboxylate?
The IUPAC name of 2-[2-(2-methoxyethoxy)ethoxy]ethyl 4-aminooxolane-3-carboxylate (CID 104563231) is 2-[2-(2-methoxyethoxy)ethoxy]ethyl 4-aminooxolane-3-carboxylate.
What is the SMILES notation for 2-[2-(2-methoxyethoxy)ethoxy]ethyl 4-aminooxolane-3-carboxylate?
The canonical SMILES for 2-[2-(2-methoxyethoxy)ethoxy]ethyl 4-aminooxolane-3-carboxylate is COCCOCCOCCOC(=O)C1COCC1N.
What is the InChIKey of 2-[2-(2-methoxyethoxy)ethoxy]ethyl 4-aminooxolane-3-carboxylate?
The InChIKey is PAZYSGURTUOYIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NO6/c1-15-2-3-16-4-5-17-6-7-19-12(14)10-8-18-9-11(10)13/h10-11H,2-9,13H2,1H3.
What are the key properties of 2-[2-(2-methoxyethoxy)ethoxy]ethyl 4-aminooxolane-3-carboxylate?
2-[2-(2-methoxyethoxy)ethoxy]ethyl 4-aminooxolane-3-carboxylate has a molecular weight of 277.32 g/mol, XLogP of -0.82, 10 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2-methoxyethoxy)ethoxy]ethyl 4-aminooxolane-3-carboxylate is sourced from PubChem (CID 104563231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).