(2S,6R)-4-hydroxy-2,6-di(propan-2-yl)piperidine-3,5-dicarboxylic acid

C13H23NO5 — CID 82667454

IUPAC(2S,6R)-4-hydroxy-2,6-di(propan-2-yl)piperidine-3,5-dicarboxylic acid
SMILESCC(C)[C@H]1N[C@@H](C(C)C)C(C(=O)O)C(O)C1C(=O)O
InChIInChI=1S/C13H23NO5/c1-5(2)9-7(12(16)17)11(15)8(13(18)19)10(14-9)6(3)4/h5-11,14-15H,1-4H3,(H,16,17)(H,18,19)/t7?,8?,9-,10+,11?
InChIKeyLVVILHXSSIZNNC-KGKTZVAMSA-N
MW273.33 g/mol
LogP0.40
Rot. Bonds4

About (2S,6R)-4-hydroxy-2,6-di(propan-2-yl)piperidine-3,5-dicarboxylic acid

(2S,6R)-4-hydroxy-2,6-di(propan-2-yl)piperidine-3,5-dicarboxylic acid (PubChem CID 82667454) has the molecular formula C13H23NO5 and a molecular weight of 273.33 g/mol. Its IUPAC name is (2S,6R)-4-hydroxy-2,6-di(propan-2-yl)piperidine-3,5-dicarboxylic acid.

Molecular Properties

Compound Name(2S,6R)-4-hydroxy-2,6-di(propan-2-yl)piperidine-3,5-dicarboxylic acid
PubChem CID82667454
Molecular FormulaC13H23NO5
Molecular Weight273.33 g/mol
Exact Mass273.16
IUPAC Name(2S,6R)-4-hydroxy-2,6-di(propan-2-yl)piperidine-3,5-dicarboxylic acid
SMILESCC(C)[C@H]1N[C@@H](C(C)C)C(C(=O)O)C(O)C1C(=O)O
InChIInChI=1S/C13H23NO5/c1-5(2)9-7(12(16)17)11(15)8(13(18)19)10(14-9)6(3)4/h5-11,14-15H,1-4H3,(H,16,17)(H,18,19)/t7?,8?,9-,10+,11?
InChIKeyLVVILHXSSIZNNC-KGKTZVAMSA-N
XLogP0.40
TPSA106.86 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.33
LogP ≤ 50.40
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2S,6R)-4-hydroxy-2,6-di(propan-2-yl)piperidine-3,5-dicarboxylic acid?
The IUPAC name of (2S,6R)-4-hydroxy-2,6-di(propan-2-yl)piperidine-3,5-dicarboxylic acid (CID 82667454) is (2S,6R)-4-hydroxy-2,6-di(propan-2-yl)piperidine-3,5-dicarboxylic acid.
What is the SMILES notation for (2S,6R)-4-hydroxy-2,6-di(propan-2-yl)piperidine-3,5-dicarboxylic acid?
The canonical SMILES for (2S,6R)-4-hydroxy-2,6-di(propan-2-yl)piperidine-3,5-dicarboxylic acid is CC(C)[C@H]1N[C@@H](C(C)C)C(C(=O)O)C(O)C1C(=O)O.
What is the InChIKey of (2S,6R)-4-hydroxy-2,6-di(propan-2-yl)piperidine-3,5-dicarboxylic acid?
The InChIKey is LVVILHXSSIZNNC-KGKTZVAMSA-N. The full InChI is InChI=1S/C13H23NO5/c1-5(2)9-7(12(16)17)11(15)8(13(18)19)10(14-9)6(3)4/h5-11,14-15H,1-4H3,(H,16,17)(H,18,19)/t7?,8?,9-,10+,11?.
What are the key properties of (2S,6R)-4-hydroxy-2,6-di(propan-2-yl)piperidine-3,5-dicarboxylic acid?
(2S,6R)-4-hydroxy-2,6-di(propan-2-yl)piperidine-3,5-dicarboxylic acid has a molecular weight of 273.33 g/mol, XLogP of 0.40, 4 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,6R)-4-hydroxy-2,6-di(propan-2-yl)piperidine-3,5-dicarboxylic acid is sourced from PubChem (CID 82667454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).