3-[2-(hydroxymethyl)piperidine-1-carbonyl]-1,3-thiazolidine-4-carboxylic acid

C11H18N2O4S — CID 61407362

IUPAC3-[2-(hydroxymethyl)piperidine-1-carbonyl]-1,3-thiazolidine-4-carboxylic acid
SMILESO=C(O)C1CSCN1C(=O)N1CCCCC1CO
InChIInChI=1S/C11H18N2O4S/c14-5-8-3-1-2-4-12(8)11(17)13-7-18-6-9(13)10(15)16/h8-9,14H,1-7H2,(H,15,16)
InChIKeyDUCXXNXVMIXCMB-UHFFFAOYSA-N
MW274.34 g/mol
LogP0.41
Rot. Bonds2

About 3-[2-(hydroxymethyl)piperidine-1-carbonyl]-1,3-thiazolidine-4-carboxylic acid

3-[2-(hydroxymethyl)piperidine-1-carbonyl]-1,3-thiazolidine-4-carboxylic acid (PubChem CID 61407362) has the molecular formula C11H18N2O4S and a molecular weight of 274.34 g/mol. Its IUPAC name is 3-[2-(hydroxymethyl)piperidine-1-carbonyl]-1,3-thiazolidine-4-carboxylic acid.

Molecular Properties

Compound Name3-[2-(hydroxymethyl)piperidine-1-carbonyl]-1,3-thiazolidine-4-carboxylic acid
PubChem CID61407362
Molecular FormulaC11H18N2O4S
Molecular Weight274.34 g/mol
Exact Mass274.10
IUPAC Name3-[2-(hydroxymethyl)piperidine-1-carbonyl]-1,3-thiazolidine-4-carboxylic acid
SMILESO=C(O)C1CSCN1C(=O)N1CCCCC1CO
InChIInChI=1S/C11H18N2O4S/c14-5-8-3-1-2-4-12(8)11(17)13-7-18-6-9(13)10(15)16/h8-9,14H,1-7H2,(H,15,16)
InChIKeyDUCXXNXVMIXCMB-UHFFFAOYSA-N
XLogP0.41
TPSA81.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.34
LogP ≤ 50.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-[2-(hydroxymethyl)piperidine-1-carbonyl]thiomorpholine-3-carboxylic acid
CID 82904633
4-(2-ethylazepane-1-carbonyl)thiomorpholine-3-carboxylic acid
CID 104691036
(4R)-3-(azepane-1-carbonyl)-1,3-thiazolidine-4-carboxylic acid
CID 61188708
(2S,4S)-4-hydroxy-1-[2-(hydroxymethyl)azepane-1-carbonyl]pyrrolidine-2-carboxylic acid
CID 104891603
(4R)-3-(4a-hydroxy-1,3,4,5,6,7,8,8a-octahydroisoquinoline-2-carbonyl)-1,3-thiazolidine-4-carboxylic acid
CID 81108217
(3S)-1-[2-(hydroxymethyl)piperidine-1-carbonyl]piperidine-3-carboxylic acid
CID 81125270
1-[2-(hydroxymethyl)piperidine-1-carbonyl]piperidine-3-carboxylic acid
CID 61407742
3-(1-ethylsulfonylpiperidine-4-carbonyl)-1,3-thiazolidine-4-carboxylic acid
CID 43359164
(2R)-1-(2-ethylpiperidine-1-carbonyl)pyrrolidine-2-carboxylic acid
CID 55150970
(4R)-3-(2,4-dimethylpiperidine-1-carbonyl)-1,3-thiazolidine-4-carboxylic acid
CID 55061861
4-[2-(hydroxymethyl)azepane-1-carbonyl]cyclohexane-1-carboxylic acid
CID 116635794
(4R)-3-(4-cyclopropylpiperazine-1-carbonyl)-1,3-thiazolidine-4-carboxylic acid
CID 61442801

Frequently Asked Questions

What is the IUPAC name of 3-[2-(hydroxymethyl)piperidine-1-carbonyl]-1,3-thiazolidine-4-carboxylic acid?
The IUPAC name of 3-[2-(hydroxymethyl)piperidine-1-carbonyl]-1,3-thiazolidine-4-carboxylic acid (CID 61407362) is 3-[2-(hydroxymethyl)piperidine-1-carbonyl]-1,3-thiazolidine-4-carboxylic acid.
What is the SMILES notation for 3-[2-(hydroxymethyl)piperidine-1-carbonyl]-1,3-thiazolidine-4-carboxylic acid?
The canonical SMILES for 3-[2-(hydroxymethyl)piperidine-1-carbonyl]-1,3-thiazolidine-4-carboxylic acid is O=C(O)C1CSCN1C(=O)N1CCCCC1CO.
What is the InChIKey of 3-[2-(hydroxymethyl)piperidine-1-carbonyl]-1,3-thiazolidine-4-carboxylic acid?
The InChIKey is DUCXXNXVMIXCMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O4S/c14-5-8-3-1-2-4-12(8)11(17)13-7-18-6-9(13)10(15)16/h8-9,14H,1-7H2,(H,15,16).
What are the key properties of 3-[2-(hydroxymethyl)piperidine-1-carbonyl]-1,3-thiazolidine-4-carboxylic acid?
3-[2-(hydroxymethyl)piperidine-1-carbonyl]-1,3-thiazolidine-4-carboxylic acid has a molecular weight of 274.34 g/mol, XLogP of 0.41, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(hydroxymethyl)piperidine-1-carbonyl]-1,3-thiazolidine-4-carboxylic acid is sourced from PubChem (CID 61407362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).