4-hydroxy-1-[2-(2-methylphenyl)sulfanylacetyl]piperidine-4-carboxylic acid

C15H19NO4S — CID 119250894

IUPAC4-hydroxy-1-[2-(2-methylphenyl)sulfanylacetyl]piperidine-4-carboxylic acid
SMILESCc1ccccc1SCC(=O)N1CCC(O)(C(=O)O)CC1
InChIInChI=1S/C15H19NO4S/c1-11-4-2-3-5-12(11)21-10-13(17)16-8-6-15(20,7-9-16)14(18)19/h2-5,20H,6-10H2,1H3,(H,18,19)
InChIKeyZRGXHJMLWLRMLT-UHFFFAOYSA-N
MW309.39 g/mol
LogP1.53
Rot. Bonds4

About 4-hydroxy-1-[2-(2-methylphenyl)sulfanylacetyl]piperidine-4-carboxylic acid

4-hydroxy-1-[2-(2-methylphenyl)sulfanylacetyl]piperidine-4-carboxylic acid (PubChem CID 119250894) has the molecular formula C15H19NO4S and a molecular weight of 309.39 g/mol. Its IUPAC name is 4-hydroxy-1-[2-(2-methylphenyl)sulfanylacetyl]piperidine-4-carboxylic acid.

Molecular Properties

Compound Name4-hydroxy-1-[2-(2-methylphenyl)sulfanylacetyl]piperidine-4-carboxylic acid
PubChem CID119250894
Molecular FormulaC15H19NO4S
Molecular Weight309.39 g/mol
Exact Mass309.10
IUPAC Name4-hydroxy-1-[2-(2-methylphenyl)sulfanylacetyl]piperidine-4-carboxylic acid
SMILESCc1ccccc1SCC(=O)N1CCC(O)(C(=O)O)CC1
InChIInChI=1S/C15H19NO4S/c1-11-4-2-3-5-12(11)21-10-13(17)16-8-6-15(20,7-9-16)14(18)19/h2-5,20H,6-10H2,1H3,(H,18,19)
InChIKeyZRGXHJMLWLRMLT-UHFFFAOYSA-N
XLogP1.53
TPSA77.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.39
LogP ≤ 51.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 4-hydroxy-1-[2-(2-methylphenyl)sulfanylacetyl]piperidine-4-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

2-[4-[2-(2-methylphenyl)sulfanylacetyl]piperazin-1-yl]acetic acid
CID 43521252
1-[4-hydroxy-4-(methoxymethyl)-3,3-dimethylpiperidin-1-yl]-2-(2-methylphenyl)sulfanylethanone
CID 78085236
4-hydroxy-1-[2-(4-propan-2-ylphenyl)sulfanylacetyl]piperidine-4-carboxylic acid
CID 119251292
1-(3-hydroxyazetidin-1-yl)-2-(2-methylphenyl)sulfanylethanone
CID 63106968
8-[2-(2-methylphenyl)sulfanylacetyl]-2,8-diazaspiro[4.5]decan-3-one
CID 50980812
2,2-dimethyl-1-[4-[2-(2-methylphenyl)sulfanylacetyl]piperazin-1-yl]propan-1-one
CID 134021519
1-[2-(4-tert-butylphenyl)sulfanylacetyl]-4-hydroxypiperidine-4-carboxylic acid
CID 119251103
1-[4-(methylamino)piperidin-1-yl]-2-(2-methylphenyl)sulfanylethanone;hydrochloride
CID 119560859
1-[(4R)-4-(dimethylamino)azepan-1-yl]-2-(2-methylphenyl)sulfanylethanone
CID 95714495
1-(3-acetamido-3-phenylpropanoyl)-4-hydroxypiperidine-4-carboxylic acid
CID 119251493
(3S)-1-[2-(2-methylphenyl)sulfanylacetyl]piperidine-3-carboxylic acid
CID 81125681
2-(2-methylphenyl)sulfanyl-1-[4-[(E)-2-phenylethenyl]sulfonylpiperazin-1-yl]ethanone
CID 75460097

Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-1-[2-(2-methylphenyl)sulfanylacetyl]piperidine-4-carboxylic acid?
The IUPAC name of 4-hydroxy-1-[2-(2-methylphenyl)sulfanylacetyl]piperidine-4-carboxylic acid (CID 119250894) is 4-hydroxy-1-[2-(2-methylphenyl)sulfanylacetyl]piperidine-4-carboxylic acid.
What is the SMILES notation for 4-hydroxy-1-[2-(2-methylphenyl)sulfanylacetyl]piperidine-4-carboxylic acid?
The canonical SMILES for 4-hydroxy-1-[2-(2-methylphenyl)sulfanylacetyl]piperidine-4-carboxylic acid is Cc1ccccc1SCC(=O)N1CCC(O)(C(=O)O)CC1.
What is the InChIKey of 4-hydroxy-1-[2-(2-methylphenyl)sulfanylacetyl]piperidine-4-carboxylic acid?
The InChIKey is ZRGXHJMLWLRMLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NO4S/c1-11-4-2-3-5-12(11)21-10-13(17)16-8-6-15(20,7-9-16)14(18)19/h2-5,20H,6-10H2,1H3,(H,18,19).
What are the key properties of 4-hydroxy-1-[2-(2-methylphenyl)sulfanylacetyl]piperidine-4-carboxylic acid?
4-hydroxy-1-[2-(2-methylphenyl)sulfanylacetyl]piperidine-4-carboxylic acid has a molecular weight of 309.39 g/mol, XLogP of 1.53, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-1-[2-(2-methylphenyl)sulfanylacetyl]piperidine-4-carboxylic acid is sourced from PubChem (CID 119250894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).