(2R,6S)-piperidin-1-ium-2,6-dicarboxylate

C7H10NO4- — CID 86306397

IUPAC(2R,6S)-piperidin-1-ium-2,6-dicarboxylate
SMILESO=C([O-])[C@@H]1CCC[C@H](C(=O)[O-])[NH2+]1
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)/p-1/t4-,5+
InChIKeySOOPBZRXJMNXTF-SYDPRGILSA-M
MW172.16 g/mol
LogP-4.03
Rot. Bonds2

About (2R,6S)-piperidin-1-ium-2,6-dicarboxylate

(2R,6S)-piperidin-1-ium-2,6-dicarboxylate (PubChem CID 86306397) has the molecular formula C7H10NO4- and a molecular weight of 172.16 g/mol. Its IUPAC name is (2R,6S)-piperidin-1-ium-2,6-dicarboxylate.

Molecular Properties

Compound Name(2R,6S)-piperidin-1-ium-2,6-dicarboxylate
PubChem CID86306397
Molecular FormulaC7H10NO4-
Molecular Weight172.16 g/mol
Exact Mass172.06
IUPAC Name(2R,6S)-piperidin-1-ium-2,6-dicarboxylate
SMILESO=C([O-])[C@@H]1CCC[C@H](C(=O)[O-])[NH2+]1
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)/p-1/t4-,5+
InChIKeySOOPBZRXJMNXTF-SYDPRGILSA-M
XLogP-4.03
TPSA96.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.16
LogP ≤ 5-4.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2R,6S)-piperidin-1-ium-2,6-dicarboxylate?
The IUPAC name of (2R,6S)-piperidin-1-ium-2,6-dicarboxylate (CID 86306397) is (2R,6S)-piperidin-1-ium-2,6-dicarboxylate.
What is the SMILES notation for (2R,6S)-piperidin-1-ium-2,6-dicarboxylate?
The canonical SMILES for (2R,6S)-piperidin-1-ium-2,6-dicarboxylate is O=C([O-])[C@@H]1CCC[C@H](C(=O)[O-])[NH2+]1.
What is the InChIKey of (2R,6S)-piperidin-1-ium-2,6-dicarboxylate?
The InChIKey is SOOPBZRXJMNXTF-SYDPRGILSA-M. 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)/p-1/t4-,5+.
What are the key properties of (2R,6S)-piperidin-1-ium-2,6-dicarboxylate?
(2R,6S)-piperidin-1-ium-2,6-dicarboxylate has a molecular weight of 172.16 g/mol, XLogP of -4.03, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,6S)-piperidin-1-ium-2,6-dicarboxylate is sourced from PubChem (CID 86306397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).