(2R)-2-(dimethylamino)-2,3-diethylpentanedioic acid

C11H21NO4 — CID 88836558

IUPAC(2R)-2-(dimethylamino)-2,3-diethylpentanedioic acid
SMILESCCC(CC(=O)O)[C@](CC)(C(=O)O)N(C)C
InChIInChI=1S/C11H21NO4/c1-5-8(7-9(13)14)11(6-2,10(15)16)12(3)4/h8H,5-7H2,1-4H3,(H,13,14)(H,15,16)/t8?,11-/m1/s1
InChIKeyPSJGZIPQYSYLGB-QHDYGNBISA-N
MW231.29 g/mol
LogP1.28
Rot. Bonds7

About (2R)-2-(dimethylamino)-2,3-diethylpentanedioic acid

(2R)-2-(dimethylamino)-2,3-diethylpentanedioic acid (PubChem CID 88836558) has the molecular formula C11H21NO4 and a molecular weight of 231.29 g/mol. Its IUPAC name is (2R)-2-(dimethylamino)-2,3-diethylpentanedioic acid.

Molecular Properties

Compound Name(2R)-2-(dimethylamino)-2,3-diethylpentanedioic acid
PubChem CID88836558
Molecular FormulaC11H21NO4
Molecular Weight231.29 g/mol
Exact Mass231.15
IUPAC Name(2R)-2-(dimethylamino)-2,3-diethylpentanedioic acid
SMILESCCC(CC(=O)O)[C@](CC)(C(=O)O)N(C)C
InChIInChI=1S/C11H21NO4/c1-5-8(7-9(13)14)11(6-2,10(15)16)12(3)4/h8H,5-7H2,1-4H3,(H,13,14)(H,15,16)/t8?,11-/m1/s1
InChIKeyPSJGZIPQYSYLGB-QHDYGNBISA-N
XLogP1.28
TPSA77.84 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.29
LogP ≤ 51.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2R)-2-(dimethylamino)-2,3-diethylpentanedioic acid?
The IUPAC name of (2R)-2-(dimethylamino)-2,3-diethylpentanedioic acid (CID 88836558) is (2R)-2-(dimethylamino)-2,3-diethylpentanedioic acid.
What is the SMILES notation for (2R)-2-(dimethylamino)-2,3-diethylpentanedioic acid?
The canonical SMILES for (2R)-2-(dimethylamino)-2,3-diethylpentanedioic acid is CCC(CC(=O)O)[C@](CC)(C(=O)O)N(C)C.
What is the InChIKey of (2R)-2-(dimethylamino)-2,3-diethylpentanedioic acid?
The InChIKey is PSJGZIPQYSYLGB-QHDYGNBISA-N. The full InChI is InChI=1S/C11H21NO4/c1-5-8(7-9(13)14)11(6-2,10(15)16)12(3)4/h8H,5-7H2,1-4H3,(H,13,14)(H,15,16)/t8?,11-/m1/s1.
What are the key properties of (2R)-2-(dimethylamino)-2,3-diethylpentanedioic acid?
(2R)-2-(dimethylamino)-2,3-diethylpentanedioic acid has a molecular weight of 231.29 g/mol, XLogP of 1.28, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(dimethylamino)-2,3-diethylpentanedioic acid is sourced from PubChem (CID 88836558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).