ethyl 1-(2-hydroxy-2-methylpropyl)pyrrolidine-3-carboxylate

C11H21NO3 — CID 90801075

IUPACethyl 1-(2-hydroxy-2-methylpropyl)pyrrolidine-3-carboxylate
SMILESCCOC(=O)C1CCN(CC(C)(C)O)C1
InChIInChI=1S/C11H21NO3/c1-4-15-10(13)9-5-6-12(7-9)8-11(2,3)14/h9,14H,4-8H2,1-3H3
InChIKeyBWGGUHMHPKOIOQ-UHFFFAOYSA-N
MW215.29 g/mol
LogP0.64
Rot. Bonds4

About ethyl 1-(2-hydroxy-2-methylpropyl)pyrrolidine-3-carboxylate

ethyl 1-(2-hydroxy-2-methylpropyl)pyrrolidine-3-carboxylate (PubChem CID 90801075) has the molecular formula C11H21NO3 and a molecular weight of 215.29 g/mol. Its IUPAC name is ethyl 1-(2-hydroxy-2-methylpropyl)pyrrolidine-3-carboxylate.

Molecular Properties

Compound Nameethyl 1-(2-hydroxy-2-methylpropyl)pyrrolidine-3-carboxylate
PubChem CID90801075
Molecular FormulaC11H21NO3
Molecular Weight215.29 g/mol
Exact Mass215.15
IUPAC Nameethyl 1-(2-hydroxy-2-methylpropyl)pyrrolidine-3-carboxylate
SMILESCCOC(=O)C1CCN(CC(C)(C)O)C1
InChIInChI=1S/C11H21NO3/c1-4-15-10(13)9-5-6-12(7-9)8-11(2,3)14/h9,14H,4-8H2,1-3H3
InChIKeyBWGGUHMHPKOIOQ-UHFFFAOYSA-N
XLogP0.64
TPSA49.77 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 ≤ 50.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethyl 1-(2-hydroxy-2-methylpropyl)pyrrolidine-3-carboxylate?
The IUPAC name of ethyl 1-(2-hydroxy-2-methylpropyl)pyrrolidine-3-carboxylate (CID 90801075) is ethyl 1-(2-hydroxy-2-methylpropyl)pyrrolidine-3-carboxylate.
What is the SMILES notation for ethyl 1-(2-hydroxy-2-methylpropyl)pyrrolidine-3-carboxylate?
The canonical SMILES for ethyl 1-(2-hydroxy-2-methylpropyl)pyrrolidine-3-carboxylate is CCOC(=O)C1CCN(CC(C)(C)O)C1.
What is the InChIKey of ethyl 1-(2-hydroxy-2-methylpropyl)pyrrolidine-3-carboxylate?
The InChIKey is BWGGUHMHPKOIOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO3/c1-4-15-10(13)9-5-6-12(7-9)8-11(2,3)14/h9,14H,4-8H2,1-3H3.
What are the key properties of ethyl 1-(2-hydroxy-2-methylpropyl)pyrrolidine-3-carboxylate?
ethyl 1-(2-hydroxy-2-methylpropyl)pyrrolidine-3-carboxylate has a molecular weight of 215.29 g/mol, XLogP of 0.64, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-(2-hydroxy-2-methylpropyl)pyrrolidine-3-carboxylate is sourced from PubChem (CID 90801075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).