(2S,6S)-4-hydroxypiperidin-1-ium-2,6-dicarboxamide

C7H14N3O3+ — CID 6974238

IUPAC(2S,6S)-4-hydroxypiperidin-1-ium-2,6-dicarboxamide
SMILESNC(=O)[C@@H]1CC(O)C[C@@H](C(N)=O)[NH2+]1
InChIInChI=1S/C7H13N3O3/c8-6(12)4-1-3(11)2-5(10-4)7(9)13/h3-5,10-11H,1-2H2,(H2,8,12)(H2,9,13)/p+1/t4-,5-/m0/s1
InChIKeyUDSQEOXEJJEOMY-WHFBIAKZSA-O
MW188.21 g/mol
LogP-3.59
Rot. Bonds2

About (2S,6S)-4-hydroxypiperidin-1-ium-2,6-dicarboxamide

(2S,6S)-4-hydroxypiperidin-1-ium-2,6-dicarboxamide (PubChem CID 6974238) has the molecular formula C7H14N3O3+ and a molecular weight of 188.21 g/mol. Its IUPAC name is (2S,6S)-4-hydroxypiperidin-1-ium-2,6-dicarboxamide.

Molecular Properties

Compound Name(2S,6S)-4-hydroxypiperidin-1-ium-2,6-dicarboxamide
PubChem CID6974238
Molecular FormulaC7H14N3O3+
Molecular Weight188.21 g/mol
Exact Mass188.10
IUPAC Name(2S,6S)-4-hydroxypiperidin-1-ium-2,6-dicarboxamide
SMILESNC(=O)[C@@H]1CC(O)C[C@@H](C(N)=O)[NH2+]1
InChIInChI=1S/C7H13N3O3/c8-6(12)4-1-3(11)2-5(10-4)7(9)13/h3-5,10-11H,1-2H2,(H2,8,12)(H2,9,13)/p+1/t4-,5-/m0/s1
InChIKeyUDSQEOXEJJEOMY-WHFBIAKZSA-O
XLogP-3.59
TPSA123.02 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.21
LogP ≤ 5-3.59
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2S,6S)-4-hydroxypiperidin-1-ium-2,6-dicarboxamide?
The IUPAC name of (2S,6S)-4-hydroxypiperidin-1-ium-2,6-dicarboxamide (CID 6974238) is (2S,6S)-4-hydroxypiperidin-1-ium-2,6-dicarboxamide.
What is the SMILES notation for (2S,6S)-4-hydroxypiperidin-1-ium-2,6-dicarboxamide?
The canonical SMILES for (2S,6S)-4-hydroxypiperidin-1-ium-2,6-dicarboxamide is NC(=O)[C@@H]1CC(O)C[C@@H](C(N)=O)[NH2+]1.
What is the InChIKey of (2S,6S)-4-hydroxypiperidin-1-ium-2,6-dicarboxamide?
The InChIKey is UDSQEOXEJJEOMY-WHFBIAKZSA-O. The full InChI is InChI=1S/C7H13N3O3/c8-6(12)4-1-3(11)2-5(10-4)7(9)13/h3-5,10-11H,1-2H2,(H2,8,12)(H2,9,13)/p+1/t4-,5-/m0/s1.
What are the key properties of (2S,6S)-4-hydroxypiperidin-1-ium-2,6-dicarboxamide?
(2S,6S)-4-hydroxypiperidin-1-ium-2,6-dicarboxamide has a molecular weight of 188.21 g/mol, XLogP of -3.59, 2 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,6S)-4-hydroxypiperidin-1-ium-2,6-dicarboxamide is sourced from PubChem (CID 6974238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).