ethyl 1,3-dihydroxy-2,2,5,5-tetramethylpyrrolidine-3-carboxylate

C11H21NO4 — CID 67171301

IUPACethyl 1,3-dihydroxy-2,2,5,5-tetramethylpyrrolidine-3-carboxylate
SMILESCCOC(=O)C1(O)CC(C)(C)N(O)C1(C)C
InChIInChI=1S/C11H21NO4/c1-6-16-8(13)11(14)7-9(2,3)12(15)10(11,4)5/h14-15H,6-7H2,1-5H3
InChIKeyHPOMNHZNOFCQPZ-UHFFFAOYSA-N
MW231.29 g/mol
LogP0.93
Rot. Bonds2

About ethyl 1,3-dihydroxy-2,2,5,5-tetramethylpyrrolidine-3-carboxylate

ethyl 1,3-dihydroxy-2,2,5,5-tetramethylpyrrolidine-3-carboxylate (PubChem CID 67171301) has the molecular formula C11H21NO4 and a molecular weight of 231.29 g/mol. Its IUPAC name is ethyl 1,3-dihydroxy-2,2,5,5-tetramethylpyrrolidine-3-carboxylate.

Molecular Properties

Compound Nameethyl 1,3-dihydroxy-2,2,5,5-tetramethylpyrrolidine-3-carboxylate
PubChem CID67171301
Molecular FormulaC11H21NO4
Molecular Weight231.29 g/mol
Exact Mass231.15
IUPAC Nameethyl 1,3-dihydroxy-2,2,5,5-tetramethylpyrrolidine-3-carboxylate
SMILESCCOC(=O)C1(O)CC(C)(C)N(O)C1(C)C
InChIInChI=1S/C11H21NO4/c1-6-16-8(13)11(14)7-9(2,3)12(15)10(11,4)5/h14-15H,6-7H2,1-5H3
InChIKeyHPOMNHZNOFCQPZ-UHFFFAOYSA-N
XLogP0.93
TPSA70.00 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.29
LogP ≤ 50.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of ethyl 1,3-dihydroxy-2,2,5,5-tetramethylpyrrolidine-3-carboxylate?
The IUPAC name of ethyl 1,3-dihydroxy-2,2,5,5-tetramethylpyrrolidine-3-carboxylate (CID 67171301) is ethyl 1,3-dihydroxy-2,2,5,5-tetramethylpyrrolidine-3-carboxylate.
What is the SMILES notation for ethyl 1,3-dihydroxy-2,2,5,5-tetramethylpyrrolidine-3-carboxylate?
The canonical SMILES for ethyl 1,3-dihydroxy-2,2,5,5-tetramethylpyrrolidine-3-carboxylate is CCOC(=O)C1(O)CC(C)(C)N(O)C1(C)C.
What is the InChIKey of ethyl 1,3-dihydroxy-2,2,5,5-tetramethylpyrrolidine-3-carboxylate?
The InChIKey is HPOMNHZNOFCQPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO4/c1-6-16-8(13)11(14)7-9(2,3)12(15)10(11,4)5/h14-15H,6-7H2,1-5H3.
What are the key properties of ethyl 1,3-dihydroxy-2,2,5,5-tetramethylpyrrolidine-3-carboxylate?
ethyl 1,3-dihydroxy-2,2,5,5-tetramethylpyrrolidine-3-carboxylate has a molecular weight of 231.29 g/mol, XLogP of 0.93, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1,3-dihydroxy-2,2,5,5-tetramethylpyrrolidine-3-carboxylate is sourced from PubChem (CID 67171301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).