(2R,4R)-4-ethoxy-2-ethylpyrrolidine-1,2-dicarboxylic acid

C10H17NO5 — CID 91306676

IUPAC(2R,4R)-4-ethoxy-2-ethylpyrrolidine-1,2-dicarboxylic acid
SMILESCCO[C@H]1CN(C(=O)O)[C@@](CC)(C(=O)O)C1
InChIInChI=1S/C10H17NO5/c1-3-10(8(12)13)5-7(16-4-2)6-11(10)9(14)15/h7H,3-6H2,1-2H3,(H,12,13)(H,14,15)/t7-,10-/m1/s1
InChIKeyOLQQENYSSXEVEC-GMSGAONNSA-N
MW231.25 g/mol
LogP1.01
Rot. Bonds4

About (2R,4R)-4-ethoxy-2-ethylpyrrolidine-1,2-dicarboxylic acid

(2R,4R)-4-ethoxy-2-ethylpyrrolidine-1,2-dicarboxylic acid (PubChem CID 91306676) has the molecular formula C10H17NO5 and a molecular weight of 231.25 g/mol. Its IUPAC name is (2R,4R)-4-ethoxy-2-ethylpyrrolidine-1,2-dicarboxylic acid.

Molecular Properties

Compound Name(2R,4R)-4-ethoxy-2-ethylpyrrolidine-1,2-dicarboxylic acid
PubChem CID91306676
Molecular FormulaC10H17NO5
Molecular Weight231.25 g/mol
Exact Mass231.11
IUPAC Name(2R,4R)-4-ethoxy-2-ethylpyrrolidine-1,2-dicarboxylic acid
SMILESCCO[C@H]1CN(C(=O)O)[C@@](CC)(C(=O)O)C1
InChIInChI=1S/C10H17NO5/c1-3-10(8(12)13)5-7(16-4-2)6-11(10)9(14)15/h7H,3-6H2,1-2H3,(H,12,13)(H,14,15)/t7-,10-/m1/s1
InChIKeyOLQQENYSSXEVEC-GMSGAONNSA-N
XLogP1.01
TPSA87.07 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.25
LogP ≤ 51.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2R,4R)-4-ethoxy-2-ethylpyrrolidine-1,2-dicarboxylic acid?
The IUPAC name of (2R,4R)-4-ethoxy-2-ethylpyrrolidine-1,2-dicarboxylic acid (CID 91306676) is (2R,4R)-4-ethoxy-2-ethylpyrrolidine-1,2-dicarboxylic acid.
What is the SMILES notation for (2R,4R)-4-ethoxy-2-ethylpyrrolidine-1,2-dicarboxylic acid?
The canonical SMILES for (2R,4R)-4-ethoxy-2-ethylpyrrolidine-1,2-dicarboxylic acid is CCO[C@H]1CN(C(=O)O)[C@@](CC)(C(=O)O)C1.
What is the InChIKey of (2R,4R)-4-ethoxy-2-ethylpyrrolidine-1,2-dicarboxylic acid?
The InChIKey is OLQQENYSSXEVEC-GMSGAONNSA-N. The full InChI is InChI=1S/C10H17NO5/c1-3-10(8(12)13)5-7(16-4-2)6-11(10)9(14)15/h7H,3-6H2,1-2H3,(H,12,13)(H,14,15)/t7-,10-/m1/s1.
What are the key properties of (2R,4R)-4-ethoxy-2-ethylpyrrolidine-1,2-dicarboxylic acid?
(2R,4R)-4-ethoxy-2-ethylpyrrolidine-1,2-dicarboxylic acid has a molecular weight of 231.25 g/mol, XLogP of 1.01, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,4R)-4-ethoxy-2-ethylpyrrolidine-1,2-dicarboxylic acid is sourced from PubChem (CID 91306676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).