(2R,3R)-2-methyl-1-[4-(1,3-thiazol-2-yl)butanoyl]piperidine-3-carboxylic acid

C14H20N2O3S — CID 122116611

IUPAC(2R,3R)-2-methyl-1-[4-(1,3-thiazol-2-yl)butanoyl]piperidine-3-carboxylic acid
SMILESC[C@@H]1[C@H](C(=O)O)CCCN1C(=O)CCCc1nccs1
InChIInChI=1S/C14H20N2O3S/c1-10-11(14(18)19)4-3-8-16(10)13(17)6-2-5-12-15-7-9-20-12/h7,9-11H,2-6,8H2,1H3,(H,18,19)/t10-,11-/m1/s1
InChIKeyHNAZBWRVLIQXJF-GHMZBOCLSA-N
MW296.39 g/mol
LogP2.18
Rot. Bonds5

About (2R,3R)-2-methyl-1-[4-(1,3-thiazol-2-yl)butanoyl]piperidine-3-carboxylic acid

(2R,3R)-2-methyl-1-[4-(1,3-thiazol-2-yl)butanoyl]piperidine-3-carboxylic acid (PubChem CID 122116611) has the molecular formula C14H20N2O3S and a molecular weight of 296.39 g/mol. Its IUPAC name is (2R,3R)-2-methyl-1-[4-(1,3-thiazol-2-yl)butanoyl]piperidine-3-carboxylic acid.

Molecular Properties

Compound Name(2R,3R)-2-methyl-1-[4-(1,3-thiazol-2-yl)butanoyl]piperidine-3-carboxylic acid
PubChem CID122116611
Molecular FormulaC14H20N2O3S
Molecular Weight296.39 g/mol
Exact Mass296.12
IUPAC Name(2R,3R)-2-methyl-1-[4-(1,3-thiazol-2-yl)butanoyl]piperidine-3-carboxylic acid
SMILESC[C@@H]1[C@H](C(=O)O)CCCN1C(=O)CCCc1nccs1
InChIInChI=1S/C14H20N2O3S/c1-10-11(14(18)19)4-3-8-16(10)13(17)6-2-5-12-15-7-9-20-12/h7,9-11H,2-6,8H2,1H3,(H,18,19)/t10-,11-/m1/s1
InChIKeyHNAZBWRVLIQXJF-GHMZBOCLSA-N
XLogP2.18
TPSA70.50 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.39
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (2R,3R)-2-methyl-1-[4-(1,3-thiazol-2-yl)butanoyl]piperidine-3-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2R,3R)-1-[4-(3,4-difluorophenyl)butanoyl]-2-methylpiperidine-3-carboxylic acid
CID 122116122
(2S,3S)-1-[3-(4-ethoxyphenyl)propanoyl]-2-methylpiperidine-3-carboxylic acid
CID 122115501
(2R,3R)-1-(3-cyclopropylpropanoyl)-2-methylpiperidine-3-carboxylic acid
CID 122115908
(2R,3R)-1-(3-bromothiophene-2-carbonyl)-2-methylpiperidine-3-carboxylic acid
CID 122115284
(2R,3R)-2-methyl-1-[3-(2-methylphenyl)propanoyl]piperidine-3-carboxylic acid
CID 122115329
(2R,3R)-1-[3-(furan-2-yl)propanoyl]-2-methylpiperidine-3-carboxylic acid
CID 122116502
1-cyclopropyl-4-(1,3-thiazol-2-yl)butan-1-one
CID 79824416
(2R,3R)-1-(3-hydroxypyridine-2-carbonyl)-2-methylpiperidine-3-carboxylic acid
CID 122116626
(2S)-1-[2-(1,3-thiazol-2-yl)ethylcarbamoyl]pyrrolidine-2-carboxylic acid
CID 78927419
(2R,3R)-2-methyl-1-(3-phenylsulfanylpropanoyl)piperidine-3-carboxylic acid
CID 122114673
(2R,3R)-1-(2-cyclopropylacetyl)-2-methylpiperidine-3-carboxylic acid
CID 122115293
(2R,3R)-1-[2-(4,6-dimethylpyrimidin-2-yl)sulfanylacetyl]-2-methylpiperidine-3-carboxylic acid
CID 122114715

Frequently Asked Questions

What is the IUPAC name of (2R,3R)-2-methyl-1-[4-(1,3-thiazol-2-yl)butanoyl]piperidine-3-carboxylic acid?
The IUPAC name of (2R,3R)-2-methyl-1-[4-(1,3-thiazol-2-yl)butanoyl]piperidine-3-carboxylic acid (CID 122116611) is (2R,3R)-2-methyl-1-[4-(1,3-thiazol-2-yl)butanoyl]piperidine-3-carboxylic acid.
What is the SMILES notation for (2R,3R)-2-methyl-1-[4-(1,3-thiazol-2-yl)butanoyl]piperidine-3-carboxylic acid?
The canonical SMILES for (2R,3R)-2-methyl-1-[4-(1,3-thiazol-2-yl)butanoyl]piperidine-3-carboxylic acid is C[C@@H]1[C@H](C(=O)O)CCCN1C(=O)CCCc1nccs1.
What is the InChIKey of (2R,3R)-2-methyl-1-[4-(1,3-thiazol-2-yl)butanoyl]piperidine-3-carboxylic acid?
The InChIKey is HNAZBWRVLIQXJF-GHMZBOCLSA-N. The full InChI is InChI=1S/C14H20N2O3S/c1-10-11(14(18)19)4-3-8-16(10)13(17)6-2-5-12-15-7-9-20-12/h7,9-11H,2-6,8H2,1H3,(H,18,19)/t10-,11-/m1/s1.
What are the key properties of (2R,3R)-2-methyl-1-[4-(1,3-thiazol-2-yl)butanoyl]piperidine-3-carboxylic acid?
(2R,3R)-2-methyl-1-[4-(1,3-thiazol-2-yl)butanoyl]piperidine-3-carboxylic acid has a molecular weight of 296.39 g/mol, XLogP of 2.18, 5 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-[4-(1,3-thiazol-2-yl)butanoyl]piperidine-3-carboxylic acid is sourced from PubChem (CID 122116611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).