(3R,5S,6S)-5,6-dimethylpiperidine-3-carboxylic acid

C8H15NO2 — CID 178194412

IUPAC(3R,5S,6S)-5,6-dimethylpiperidine-3-carboxylic acid
SMILESC[C@@H]1NC[C@H](C(=O)O)C[C@@H]1C
InChIInChI=1S/C8H15NO2/c1-5-3-7(8(10)11)4-9-6(5)2/h5-7,9H,3-4H2,1-2H3,(H,10,11)/t5-,6-,7+/m0/s1
InChIKeyLJLQCICAGPWEAI-LYFYHCNISA-N
MW157.21 g/mol
LogP0.71
Rot. Bonds1

About (3R,5S,6S)-5,6-dimethylpiperidine-3-carboxylic acid

(3R,5S,6S)-5,6-dimethylpiperidine-3-carboxylic acid (PubChem CID 178194412) has the molecular formula C8H15NO2 and a molecular weight of 157.21 g/mol. Its IUPAC name is (3R,5S,6S)-5,6-dimethylpiperidine-3-carboxylic acid.

Molecular Properties

Compound Name(3R,5S,6S)-5,6-dimethylpiperidine-3-carboxylic acid
PubChem CID178194412
Molecular FormulaC8H15NO2
Molecular Weight157.21 g/mol
Exact Mass157.11
IUPAC Name(3R,5S,6S)-5,6-dimethylpiperidine-3-carboxylic acid
SMILESC[C@@H]1NC[C@H](C(=O)O)C[C@@H]1C
InChIInChI=1S/C8H15NO2/c1-5-3-7(8(10)11)4-9-6(5)2/h5-7,9H,3-4H2,1-2H3,(H,10,11)/t5-,6-,7+/m0/s1
InChIKeyLJLQCICAGPWEAI-LYFYHCNISA-N
XLogP0.71
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.21
LogP ≤ 50.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (3R,5S,6S)-5,6-dimethylpiperidine-3-carboxylic acid?
The IUPAC name of (3R,5S,6S)-5,6-dimethylpiperidine-3-carboxylic acid (CID 178194412) is (3R,5S,6S)-5,6-dimethylpiperidine-3-carboxylic acid.
What is the SMILES notation for (3R,5S,6S)-5,6-dimethylpiperidine-3-carboxylic acid?
The canonical SMILES for (3R,5S,6S)-5,6-dimethylpiperidine-3-carboxylic acid is C[C@@H]1NC[C@H](C(=O)O)C[C@@H]1C.
What is the InChIKey of (3R,5S,6S)-5,6-dimethylpiperidine-3-carboxylic acid?
The InChIKey is LJLQCICAGPWEAI-LYFYHCNISA-N. The full InChI is InChI=1S/C8H15NO2/c1-5-3-7(8(10)11)4-9-6(5)2/h5-7,9H,3-4H2,1-2H3,(H,10,11)/t5-,6-,7+/m0/s1.
What are the key properties of (3R,5S,6S)-5,6-dimethylpiperidine-3-carboxylic acid?
(3R,5S,6S)-5,6-dimethylpiperidine-3-carboxylic acid has a molecular weight of 157.21 g/mol, XLogP of 0.71, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,5S,6S)-5,6-dimethylpiperidine-3-carboxylic acid is sourced from PubChem (CID 178194412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).