2-[(2-methylpropan-2-yl)oxy]ethyl pyrrolidine-3-carboxylate

C11H21NO3 — CID 112588197

IUPAC2-[(2-methylpropan-2-yl)oxy]ethyl pyrrolidine-3-carboxylate
SMILESCC(C)(C)OCCOC(=O)C1CCNC1
InChIInChI=1S/C11H21NO3/c1-11(2,3)15-7-6-14-10(13)9-4-5-12-8-9/h9,12H,4-8H2,1-3H3
InChIKeyAXCCYDZAPHDITN-UHFFFAOYSA-N
MW215.29 g/mol
LogP0.95
Rot. Bonds4

About 2-[(2-methylpropan-2-yl)oxy]ethyl pyrrolidine-3-carboxylate

2-[(2-methylpropan-2-yl)oxy]ethyl pyrrolidine-3-carboxylate (PubChem CID 112588197) has the molecular formula C11H21NO3 and a molecular weight of 215.29 g/mol. Its IUPAC name is 2-[(2-methylpropan-2-yl)oxy]ethyl pyrrolidine-3-carboxylate.

Molecular Properties

Compound Name2-[(2-methylpropan-2-yl)oxy]ethyl pyrrolidine-3-carboxylate
PubChem CID112588197
Molecular FormulaC11H21NO3
Molecular Weight215.29 g/mol
Exact Mass215.15
IUPAC Name2-[(2-methylpropan-2-yl)oxy]ethyl pyrrolidine-3-carboxylate
SMILESCC(C)(C)OCCOC(=O)C1CCNC1
InChIInChI=1S/C11H21NO3/c1-11(2,3)15-7-6-14-10(13)9-4-5-12-8-9/h9,12H,4-8H2,1-3H3
InChIKeyAXCCYDZAPHDITN-UHFFFAOYSA-N
XLogP0.95
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.29
LogP ≤ 50.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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-methylpropan-2-yl)oxy]ethyl pyrrolidine-3-carboxylate?
The IUPAC name of 2-[(2-methylpropan-2-yl)oxy]ethyl pyrrolidine-3-carboxylate (CID 112588197) is 2-[(2-methylpropan-2-yl)oxy]ethyl pyrrolidine-3-carboxylate.
What is the SMILES notation for 2-[(2-methylpropan-2-yl)oxy]ethyl pyrrolidine-3-carboxylate?
The canonical SMILES for 2-[(2-methylpropan-2-yl)oxy]ethyl pyrrolidine-3-carboxylate is CC(C)(C)OCCOC(=O)C1CCNC1.
What is the InChIKey of 2-[(2-methylpropan-2-yl)oxy]ethyl pyrrolidine-3-carboxylate?
The InChIKey is AXCCYDZAPHDITN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO3/c1-11(2,3)15-7-6-14-10(13)9-4-5-12-8-9/h9,12H,4-8H2,1-3H3.
What are the key properties of 2-[(2-methylpropan-2-yl)oxy]ethyl pyrrolidine-3-carboxylate?
2-[(2-methylpropan-2-yl)oxy]ethyl pyrrolidine-3-carboxylate has a molecular weight of 215.29 g/mol, XLogP of 0.95, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-methylpropan-2-yl)oxy]ethyl pyrrolidine-3-carboxylate is sourced from PubChem (CID 112588197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).