2-(2-methylpropoxy)ethyl 4-amino-3-methyloxolane-3-carboxylate

C12H23NO4 — CID 106448172

IUPAC2-(2-methylpropoxy)ethyl 4-amino-3-methyloxolane-3-carboxylate
SMILESCC(C)COCCOC(=O)C1(C)COCC1N
InChIInChI=1S/C12H23NO4/c1-9(2)6-15-4-5-17-11(14)12(3)8-16-7-10(12)13/h9-10H,4-8,13H2,1-3H3
InChIKeyMPKRVERCKDAXKH-UHFFFAOYSA-N
MW245.32 g/mol
LogP0.57
Rot. Bonds6

About 2-(2-methylpropoxy)ethyl 4-amino-3-methyloxolane-3-carboxylate

2-(2-methylpropoxy)ethyl 4-amino-3-methyloxolane-3-carboxylate (PubChem CID 106448172) has the molecular formula C12H23NO4 and a molecular weight of 245.32 g/mol. Its IUPAC name is 2-(2-methylpropoxy)ethyl 4-amino-3-methyloxolane-3-carboxylate.

Molecular Properties

Compound Name2-(2-methylpropoxy)ethyl 4-amino-3-methyloxolane-3-carboxylate
PubChem CID106448172
Molecular FormulaC12H23NO4
Molecular Weight245.32 g/mol
Exact Mass245.16
IUPAC Name2-(2-methylpropoxy)ethyl 4-amino-3-methyloxolane-3-carboxylate
SMILESCC(C)COCCOC(=O)C1(C)COCC1N
InChIInChI=1S/C12H23NO4/c1-9(2)6-15-4-5-17-11(14)12(3)8-16-7-10(12)13/h9-10H,4-8,13H2,1-3H3
InChIKeyMPKRVERCKDAXKH-UHFFFAOYSA-N
XLogP0.57
TPSA70.78 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.32
LogP ≤ 50.57
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-methylpropoxy)ethyl 4-amino-3-methyloxolane-3-carboxylate?
The IUPAC name of 2-(2-methylpropoxy)ethyl 4-amino-3-methyloxolane-3-carboxylate (CID 106448172) is 2-(2-methylpropoxy)ethyl 4-amino-3-methyloxolane-3-carboxylate.
What is the SMILES notation for 2-(2-methylpropoxy)ethyl 4-amino-3-methyloxolane-3-carboxylate?
The canonical SMILES for 2-(2-methylpropoxy)ethyl 4-amino-3-methyloxolane-3-carboxylate is CC(C)COCCOC(=O)C1(C)COCC1N.
What is the InChIKey of 2-(2-methylpropoxy)ethyl 4-amino-3-methyloxolane-3-carboxylate?
The InChIKey is MPKRVERCKDAXKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NO4/c1-9(2)6-15-4-5-17-11(14)12(3)8-16-7-10(12)13/h9-10H,4-8,13H2,1-3H3.
What are the key properties of 2-(2-methylpropoxy)ethyl 4-amino-3-methyloxolane-3-carboxylate?
2-(2-methylpropoxy)ethyl 4-amino-3-methyloxolane-3-carboxylate has a molecular weight of 245.32 g/mol, XLogP of 0.57, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methylpropoxy)ethyl 4-amino-3-methyloxolane-3-carboxylate is sourced from PubChem (CID 106448172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).