(2S,6R)-piperidine-2,6-dicarboxylic acid

C7H11NO4 — CID 10942932

IUPAC(2S,6R)-piperidine-2,6-dicarboxylic acid
SMILESO=C(O)[C@@H]1CCC[C@H](C(=O)O)N1
InChIInChI=1S/C7H11NO4/c9-6(10)4-2-1-3-5(8-4)7(11)12/h4-5,8H,1-3H2,(H,9,10)(H,11,12)/t4-,5+
InChIKeySOOPBZRXJMNXTF-SYDPRGILSA-N
MW173.17 g/mol
LogP-0.33
Rot. Bonds2

About (2S,6R)-piperidine-2,6-dicarboxylic acid

(2S,6R)-piperidine-2,6-dicarboxylic acid (PubChem CID 10942932) has the molecular formula C7H11NO4 and a molecular weight of 173.17 g/mol. Its IUPAC name is (2S,6R)-piperidine-2,6-dicarboxylic acid.

Molecular Properties

Compound Name(2S,6R)-piperidine-2,6-dicarboxylic acid
PubChem CID10942932
Molecular FormulaC7H11NO4
Molecular Weight173.17 g/mol
Exact Mass173.07
IUPAC Name(2S,6R)-piperidine-2,6-dicarboxylic acid
SMILESO=C(O)[C@@H]1CCC[C@H](C(=O)O)N1
InChIInChI=1S/C7H11NO4/c9-6(10)4-2-1-3-5(8-4)7(11)12/h4-5,8H,1-3H2,(H,9,10)(H,11,12)/t4-,5+
InChIKeySOOPBZRXJMNXTF-SYDPRGILSA-N
XLogP-0.33
TPSA86.63 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.17
LogP ≤ 5-0.33
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2S,6R)-piperidine-2,6-dicarboxylic acid?
The IUPAC name of (2S,6R)-piperidine-2,6-dicarboxylic acid (CID 10942932) is (2S,6R)-piperidine-2,6-dicarboxylic acid.
What is the SMILES notation for (2S,6R)-piperidine-2,6-dicarboxylic acid?
The canonical SMILES for (2S,6R)-piperidine-2,6-dicarboxylic acid is O=C(O)[C@@H]1CCC[C@H](C(=O)O)N1.
What is the InChIKey of (2S,6R)-piperidine-2,6-dicarboxylic acid?
The InChIKey is SOOPBZRXJMNXTF-SYDPRGILSA-N. The full InChI is InChI=1S/C7H11NO4/c9-6(10)4-2-1-3-5(8-4)7(11)12/h4-5,8H,1-3H2,(H,9,10)(H,11,12)/t4-,5+.
What are the key properties of (2S,6R)-piperidine-2,6-dicarboxylic acid?
(2S,6R)-piperidine-2,6-dicarboxylic acid has a molecular weight of 173.17 g/mol, XLogP of -0.33, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,6R)-piperidine-2,6-dicarboxylic acid is sourced from PubChem (CID 10942932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).