(2R,3R)-2-methyl-1-(3-methyl-1,2-thiazole-4-carbonyl)piperidine-3-carboxylic acid

C12H16N2O3S — CID 122116738

IUPAC(2R,3R)-2-methyl-1-(3-methyl-1,2-thiazole-4-carbonyl)piperidine-3-carboxylic acid
SMILESCc1nscc1C(=O)N1CCC[C@@H](C(=O)O)[C@H]1C
InChIInChI=1S/C12H16N2O3S/c1-7-10(6-18-13-7)11(15)14-5-3-4-9(8(14)2)12(16)17/h6,8-9H,3-5H2,1-2H3,(H,16,17)/t8-,9-/m1/s1
InChIKeySXMGPHQPPKSPNG-RKDXNWHRSA-N
MW268.34 g/mol
LogP1.78
Rot. Bonds2

About (2R,3R)-2-methyl-1-(3-methyl-1,2-thiazole-4-carbonyl)piperidine-3-carboxylic acid

(2R,3R)-2-methyl-1-(3-methyl-1,2-thiazole-4-carbonyl)piperidine-3-carboxylic acid (PubChem CID 122116738) has the molecular formula C12H16N2O3S and a molecular weight of 268.34 g/mol. Its IUPAC name is (2R,3R)-2-methyl-1-(3-methyl-1,2-thiazole-4-carbonyl)piperidine-3-carboxylic acid.

Molecular Properties

Compound Name(2R,3R)-2-methyl-1-(3-methyl-1,2-thiazole-4-carbonyl)piperidine-3-carboxylic acid
PubChem CID122116738
Molecular FormulaC12H16N2O3S
Molecular Weight268.34 g/mol
Exact Mass268.09
IUPAC Name(2R,3R)-2-methyl-1-(3-methyl-1,2-thiazole-4-carbonyl)piperidine-3-carboxylic acid
SMILESCc1nscc1C(=O)N1CCC[C@@H](C(=O)O)[C@H]1C
InChIInChI=1S/C12H16N2O3S/c1-7-10(6-18-13-7)11(15)14-5-3-4-9(8(14)2)12(16)17/h6,8-9H,3-5H2,1-2H3,(H,16,17)/t8-,9-/m1/s1
InChIKeySXMGPHQPPKSPNG-RKDXNWHRSA-N
XLogP1.78
TPSA70.50 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.34
LogP ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2R,3R)-1-(2-hydroxybenzoyl)-2-methylpiperidine-3-carboxylic acid
CID 122116461
(2R,3R)-1-(2,5-dimethyl-1,3-thiazole-4-carbonyl)-2-methylpiperidine-3-carboxylic acid
CID 122116715
(2R,3R)-2-methyl-1-(3-methylbenzoyl)piperidine-3-carboxylic acid
CID 122114653
(2R,3R)-1-(2,3-dihydro-1H-indene-4-carbonyl)-2-methylpiperidine-3-carboxylic acid
CID 122114525
(2R,3R)-1-(1,3-dimethyl-6-thiophen-2-ylpyrazolo[5,4-b]pyridine-4-carbonyl)-2-methylpiperidine-3-carboxylic acid
CID 122116223
(2S,3S)-1-(1-butyl-5-methylpyrazole-4-carbonyl)-2-methylpiperidine-3-carboxylic acid
CID 122116845
(2S,3S)-1-(2-fluoro-3-methoxybenzoyl)-2-methylpiperidine-3-carboxylic acid
CID 122116483
(2S,3S)-2-methyl-1-(5-propan-2-yl-1,2-oxazole-3-carbonyl)piperidine-3-carboxylic acid
CID 122116627
(2R,3R)-2-methyl-1-(2-pyridin-4-yl-1,3-thiazole-5-carbonyl)piperidine-3-carboxylic acid
CID 122116408
(2R,3R)-1-(5,6-dihydro-4H-cyclopenta[b]thiophene-2-carbonyl)-2-methylpiperidine-3-carboxylic acid
CID 122114768
(2R,3R)-1-(3-bromothiophene-2-carbonyl)-2-methylpiperidine-3-carboxylic acid
CID 122115284
(2R,3R)-1-(2-bromo-5-fluorobenzoyl)-2-methylpiperidine-3-carboxylic acid
CID 122115089

Frequently Asked Questions

What is the IUPAC name of (2R,3R)-2-methyl-1-(3-methyl-1,2-thiazole-4-carbonyl)piperidine-3-carboxylic acid?
The IUPAC name of (2R,3R)-2-methyl-1-(3-methyl-1,2-thiazole-4-carbonyl)piperidine-3-carboxylic acid (CID 122116738) is (2R,3R)-2-methyl-1-(3-methyl-1,2-thiazole-4-carbonyl)piperidine-3-carboxylic acid.
What is the SMILES notation for (2R,3R)-2-methyl-1-(3-methyl-1,2-thiazole-4-carbonyl)piperidine-3-carboxylic acid?
The canonical SMILES for (2R,3R)-2-methyl-1-(3-methyl-1,2-thiazole-4-carbonyl)piperidine-3-carboxylic acid is Cc1nscc1C(=O)N1CCC[C@@H](C(=O)O)[C@H]1C.
What is the InChIKey of (2R,3R)-2-methyl-1-(3-methyl-1,2-thiazole-4-carbonyl)piperidine-3-carboxylic acid?
The InChIKey is SXMGPHQPPKSPNG-RKDXNWHRSA-N. The full InChI is InChI=1S/C12H16N2O3S/c1-7-10(6-18-13-7)11(15)14-5-3-4-9(8(14)2)12(16)17/h6,8-9H,3-5H2,1-2H3,(H,16,17)/t8-,9-/m1/s1.
What are the key properties of (2R,3R)-2-methyl-1-(3-methyl-1,2-thiazole-4-carbonyl)piperidine-3-carboxylic acid?
(2R,3R)-2-methyl-1-(3-methyl-1,2-thiazole-4-carbonyl)piperidine-3-carboxylic acid has a molecular weight of 268.34 g/mol, XLogP of 1.78, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R)-2-methyl-1-(3-methyl-1,2-thiazole-4-carbonyl)piperidine-3-carboxylic acid is sourced from PubChem (CID 122116738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).