(3R,4R)-4-hydroxy-1-[[2-(2-methoxyphenyl)-1,3-thiazol-5-yl]methyl]piperidine-3-carboxylic acid

C17H20N2O4S — CID 157011246

IUPAC(3R,4R)-4-hydroxy-1-[[2-(2-methoxyphenyl)-1,3-thiazol-5-yl]methyl]piperidine-3-carboxylic acid
SMILESCOc1ccccc1-c1ncc(CN2CC[C@@H](O)[C@H](C(=O)O)C2)s1
InChIInChI=1S/C17H20N2O4S/c1-23-15-5-3-2-4-12(15)16-18-8-11(24-16)9-19-7-6-14(20)13(10-19)17(21)22/h2-5,8,13-14,20H,6-7,9-10H2,1H3,(H,21,22)/t13-,14-/m1/s1
InChIKeyCIXLRLXMVSFUSM-ZIAGYGMSSA-N
MW348.42 g/mol
LogP2.09
Rot. Bonds5

About (3R,4R)-4-hydroxy-1-[[2-(2-methoxyphenyl)-1,3-thiazol-5-yl]methyl]piperidine-3-carboxylic acid

(3R,4R)-4-hydroxy-1-[[2-(2-methoxyphenyl)-1,3-thiazol-5-yl]methyl]piperidine-3-carboxylic acid (PubChem CID 157011246) has the molecular formula C17H20N2O4S and a molecular weight of 348.42 g/mol. Its IUPAC name is (3R,4R)-4-hydroxy-1-[[2-(2-methoxyphenyl)-1,3-thiazol-5-yl]methyl]piperidine-3-carboxylic acid.

Molecular Properties

Compound Name(3R,4R)-4-hydroxy-1-[[2-(2-methoxyphenyl)-1,3-thiazol-5-yl]methyl]piperidine-3-carboxylic acid
PubChem CID157011246
Molecular FormulaC17H20N2O4S
Molecular Weight348.42 g/mol
Exact Mass348.11
IUPAC Name(3R,4R)-4-hydroxy-1-[[2-(2-methoxyphenyl)-1,3-thiazol-5-yl]methyl]piperidine-3-carboxylic acid
SMILESCOc1ccccc1-c1ncc(CN2CC[C@@H](O)[C@H](C(=O)O)C2)s1
InChIInChI=1S/C17H20N2O4S/c1-23-15-5-3-2-4-12(15)16-18-8-11(24-16)9-19-7-6-14(20)13(10-19)17(21)22/h2-5,8,13-14,20H,6-7,9-10H2,1H3,(H,21,22)/t13-,14-/m1/s1
InChIKeyCIXLRLXMVSFUSM-ZIAGYGMSSA-N
XLogP2.09
TPSA82.89 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.42
LogP ≤ 52.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze (3R,4R)-4-hydroxy-1-[[2-(2-methoxyphenyl)-1,3-thiazol-5-yl]methyl]piperidine-3-carboxylic acid with MolForge

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Related Compounds

3-[(3S)-1-[[2-(2-methoxyphenyl)-1,3-thiazol-5-yl]methyl]piperidin-3-yl]propanamide
CID 95708835
5-[[3-(1H-imidazol-2-yl)piperidin-1-yl]methyl]-2-(2-methoxyphenyl)-1,3-thiazole
CID 135119860
[(3aS,7aR)-2-[[2-(2-methoxyphenyl)-1,3-thiazol-5-yl]methyl]-1,3,4,6,7,7a-hexahydropyrano[3,4-c]pyrrol-3a-yl]methanol
CID 154811415
3-[2-(2-methoxyphenyl)-1,3-thiazol-5-yl]propanoic acid
CID 82303207
(3R,4S)-4-hydroxy-1-[(2-phenylpyrazol-3-yl)methyl]piperidine-3-carboxylic acid
CID 164690116
(3S,8aR)-2-[[2-(2-methoxyphenyl)-1,3-thiazol-5-yl]methyl]-3-methyl-6,7,8,8a-tetrahydro-3H-pyrrolo[1,2-a]pyrazine-1,4-dione;formic acid
CID 171322080
(3R,4R)-1-benzyl-4-hydroxypiperidine-3-carboxylic acid
CID 70556270
2-(2-methoxyphenyl)-5-[[(2R)-2-pyridin-2-ylpyrrolidin-1-yl]methyl]-1,3-thiazole
CID 95724370
(3S)-1-N-[[2-(2-methoxyphenyl)-1,3-thiazol-5-yl]methyl]piperidine-1,3-dicarboxamide
CID 126447621
2-(5-chloro-2-methoxyphenyl)-5-[[(5R)-3,5-dimethylpiperidin-1-yl]methyl]-1,3-thiazole
CID 178133484
9-[[2-(2-methoxyphenyl)-1,3-thiazol-5-yl]methyl]-3-methyl-1-oxa-3,9-diazaspiro[4.5]decan-2-one
CID 77096294
3-[2-(2-methoxyphenyl)-1,3-thiazol-5-yl]propan-1-amine
CID 115091894

Frequently Asked Questions

What is the IUPAC name of (3R,4R)-4-hydroxy-1-[[2-(2-methoxyphenyl)-1,3-thiazol-5-yl]methyl]piperidine-3-carboxylic acid?
The IUPAC name of (3R,4R)-4-hydroxy-1-[[2-(2-methoxyphenyl)-1,3-thiazol-5-yl]methyl]piperidine-3-carboxylic acid (CID 157011246) is (3R,4R)-4-hydroxy-1-[[2-(2-methoxyphenyl)-1,3-thiazol-5-yl]methyl]piperidine-3-carboxylic acid.
What is the SMILES notation for (3R,4R)-4-hydroxy-1-[[2-(2-methoxyphenyl)-1,3-thiazol-5-yl]methyl]piperidine-3-carboxylic acid?
The canonical SMILES for (3R,4R)-4-hydroxy-1-[[2-(2-methoxyphenyl)-1,3-thiazol-5-yl]methyl]piperidine-3-carboxylic acid is COc1ccccc1-c1ncc(CN2CC[C@@H](O)[C@H](C(=O)O)C2)s1.
What is the InChIKey of (3R,4R)-4-hydroxy-1-[[2-(2-methoxyphenyl)-1,3-thiazol-5-yl]methyl]piperidine-3-carboxylic acid?
The InChIKey is CIXLRLXMVSFUSM-ZIAGYGMSSA-N. The full InChI is InChI=1S/C17H20N2O4S/c1-23-15-5-3-2-4-12(15)16-18-8-11(24-16)9-19-7-6-14(20)13(10-19)17(21)22/h2-5,8,13-14,20H,6-7,9-10H2,1H3,(H,21,22)/t13-,14-/m1/s1.
What are the key properties of (3R,4R)-4-hydroxy-1-[[2-(2-methoxyphenyl)-1,3-thiazol-5-yl]methyl]piperidine-3-carboxylic acid?
(3R,4R)-4-hydroxy-1-[[2-(2-methoxyphenyl)-1,3-thiazol-5-yl]methyl]piperidine-3-carboxylic acid has a molecular weight of 348.42 g/mol, XLogP of 2.09, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4R)-4-hydroxy-1-[[2-(2-methoxyphenyl)-1,3-thiazol-5-yl]methyl]piperidine-3-carboxylic acid is sourced from PubChem (CID 157011246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).