(2S,4S,5R)-piperidine-2,4,5-tricarboxylic acid

C8H11NO6 — CID 10822635

IUPAC(2S,4S,5R)-piperidine-2,4,5-tricarboxylic acid
SMILESO=C(O)[C@@H]1C[C@H](C(=O)O)[C@@H](C(=O)O)CN1
InChIInChI=1S/C8H11NO6/c10-6(11)3-1-5(8(14)15)9-2-4(3)7(12)13/h3-5,9H,1-2H2,(H,10,11)(H,12,13)(H,14,15)/t3-,4-,5-/m0/s1
InChIKeyDZNOZFCFNYYUPY-YUPRTTJUSA-N
MW217.18 g/mol
LogP-1.17
Rot. Bonds3

About (2S,4S,5R)-piperidine-2,4,5-tricarboxylic acid

(2S,4S,5R)-piperidine-2,4,5-tricarboxylic acid (PubChem CID 10822635) has the molecular formula C8H11NO6 and a molecular weight of 217.18 g/mol. Its IUPAC name is (2S,4S,5R)-piperidine-2,4,5-tricarboxylic acid.

Molecular Properties

Compound Name(2S,4S,5R)-piperidine-2,4,5-tricarboxylic acid
PubChem CID10822635
Molecular FormulaC8H11NO6
Molecular Weight217.18 g/mol
Exact Mass217.06
IUPAC Name(2S,4S,5R)-piperidine-2,4,5-tricarboxylic acid
SMILESO=C(O)[C@@H]1C[C@H](C(=O)O)[C@@H](C(=O)O)CN1
InChIInChI=1S/C8H11NO6/c10-6(11)3-1-5(8(14)15)9-2-4(3)7(12)13/h3-5,9H,1-2H2,(H,10,11)(H,12,13)(H,14,15)/t3-,4-,5-/m0/s1
InChIKeyDZNOZFCFNYYUPY-YUPRTTJUSA-N
XLogP-1.17
TPSA123.93 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.18
LogP ≤ 5-1.17
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2S,4S,5R)-piperidine-2,4,5-tricarboxylic acid?
The IUPAC name of (2S,4S,5R)-piperidine-2,4,5-tricarboxylic acid (CID 10822635) is (2S,4S,5R)-piperidine-2,4,5-tricarboxylic acid.
What is the SMILES notation for (2S,4S,5R)-piperidine-2,4,5-tricarboxylic acid?
The canonical SMILES for (2S,4S,5R)-piperidine-2,4,5-tricarboxylic acid is O=C(O)[C@@H]1C[C@H](C(=O)O)[C@@H](C(=O)O)CN1.
What is the InChIKey of (2S,4S,5R)-piperidine-2,4,5-tricarboxylic acid?
The InChIKey is DZNOZFCFNYYUPY-YUPRTTJUSA-N. The full InChI is InChI=1S/C8H11NO6/c10-6(11)3-1-5(8(14)15)9-2-4(3)7(12)13/h3-5,9H,1-2H2,(H,10,11)(H,12,13)(H,14,15)/t3-,4-,5-/m0/s1.
What are the key properties of (2S,4S,5R)-piperidine-2,4,5-tricarboxylic acid?
(2S,4S,5R)-piperidine-2,4,5-tricarboxylic acid has a molecular weight of 217.18 g/mol, XLogP of -1.17, 3 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,4S,5R)-piperidine-2,4,5-tricarboxylic acid is sourced from PubChem (CID 10822635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).