(2S,5R)-2,5-diethylpyrrolidine-2,5-dicarboxylic acid

C10H17NO4 — CID 172571731

IUPAC(2S,5R)-2,5-diethylpyrrolidine-2,5-dicarboxylic acid
SMILESCC[C@]1(C(=O)O)CC[C@@](CC)(C(=O)O)N1
InChIInChI=1S/C10H17NO4/c1-3-9(7(12)13)5-6-10(4-2,11-9)8(14)15/h11H,3-6H2,1-2H3,(H,12,13)(H,14,15)/t9-,10+
InChIKeyQHHBJKFOQQIXNJ-AOOOYVTPSA-N
MW215.25 g/mol
LogP0.84
Rot. Bonds4

About (2S,5R)-2,5-diethylpyrrolidine-2,5-dicarboxylic acid

(2S,5R)-2,5-diethylpyrrolidine-2,5-dicarboxylic acid (PubChem CID 172571731) has the molecular formula C10H17NO4 and a molecular weight of 215.25 g/mol. Its IUPAC name is (2S,5R)-2,5-diethylpyrrolidine-2,5-dicarboxylic acid.

Molecular Properties

Compound Name(2S,5R)-2,5-diethylpyrrolidine-2,5-dicarboxylic acid
PubChem CID172571731
Molecular FormulaC10H17NO4
Molecular Weight215.25 g/mol
Exact Mass215.12
IUPAC Name(2S,5R)-2,5-diethylpyrrolidine-2,5-dicarboxylic acid
SMILESCC[C@]1(C(=O)O)CC[C@@](CC)(C(=O)O)N1
InChIInChI=1S/C10H17NO4/c1-3-9(7(12)13)5-6-10(4-2,11-9)8(14)15/h11H,3-6H2,1-2H3,(H,12,13)(H,14,15)/t9-,10+
InChIKeyQHHBJKFOQQIXNJ-AOOOYVTPSA-N
XLogP0.84
TPSA86.63 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.25
LogP ≤ 50.84
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2S,5R)-2,5-diethylpyrrolidine-2,5-dicarboxylic acid?
The IUPAC name of (2S,5R)-2,5-diethylpyrrolidine-2,5-dicarboxylic acid (CID 172571731) is (2S,5R)-2,5-diethylpyrrolidine-2,5-dicarboxylic acid.
What is the SMILES notation for (2S,5R)-2,5-diethylpyrrolidine-2,5-dicarboxylic acid?
The canonical SMILES for (2S,5R)-2,5-diethylpyrrolidine-2,5-dicarboxylic acid is CC[C@]1(C(=O)O)CC[C@@](CC)(C(=O)O)N1.
What is the InChIKey of (2S,5R)-2,5-diethylpyrrolidine-2,5-dicarboxylic acid?
The InChIKey is QHHBJKFOQQIXNJ-AOOOYVTPSA-N. The full InChI is InChI=1S/C10H17NO4/c1-3-9(7(12)13)5-6-10(4-2,11-9)8(14)15/h11H,3-6H2,1-2H3,(H,12,13)(H,14,15)/t9-,10+.
What are the key properties of (2S,5R)-2,5-diethylpyrrolidine-2,5-dicarboxylic acid?
(2S,5R)-2,5-diethylpyrrolidine-2,5-dicarboxylic acid has a molecular weight of 215.25 g/mol, XLogP of 0.84, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,5R)-2,5-diethylpyrrolidine-2,5-dicarboxylic acid is sourced from PubChem (CID 172571731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).