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

C10H14N2O4S — CID 28789368

IUPAC1-[(4R)-2-oxo-1,3-thiazolidine-4-carbonyl]piperidine-4-carboxylic acid
SMILESO=C1N[C@H](C(=O)N2CCC(C(=O)O)CC2)CS1
InChIInChI=1S/C10H14N2O4S/c13-8(7-5-17-10(16)11-7)12-3-1-6(2-4-12)9(14)15/h6-7H,1-5H2,(H,11,16)(H,14,15)/t7-/m0/s1
InChIKeyIHZNTOCAGXYWTK-ZETCQYMHSA-N
MW258.30 g/mol
LogP0.13
Rot. Bonds2

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

1-[(4R)-2-oxo-1,3-thiazolidine-4-carbonyl]piperidine-4-carboxylic acid (PubChem CID 28789368) has the molecular formula C10H14N2O4S and a molecular weight of 258.30 g/mol. Its IUPAC name is 1-[(4R)-2-oxo-1,3-thiazolidine-4-carbonyl]piperidine-4-carboxylic acid.

Molecular Properties

Compound Name1-[(4R)-2-oxo-1,3-thiazolidine-4-carbonyl]piperidine-4-carboxylic acid
PubChem CID28789368
Molecular FormulaC10H14N2O4S
Molecular Weight258.30 g/mol
Exact Mass258.07
IUPAC Name1-[(4R)-2-oxo-1,3-thiazolidine-4-carbonyl]piperidine-4-carboxylic acid
SMILESO=C1N[C@H](C(=O)N2CCC(C(=O)O)CC2)CS1
InChIInChI=1S/C10H14N2O4S/c13-8(7-5-17-10(16)11-7)12-3-1-6(2-4-12)9(14)15/h6-7H,1-5H2,(H,11,16)(H,14,15)/t7-/m0/s1
InChIKeyIHZNTOCAGXYWTK-ZETCQYMHSA-N
XLogP0.13
TPSA86.71 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.30
LogP ≤ 50.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thioester', 'substructure': 'N/A'}

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Related Compounds

1-(2-oxo-1,3-thiazolidine-4-carbonyl)piperidine-3,4-dicarboxylic acid
CID 115918403
4-methyl-1-(2-oxo-1,3-thiazolidine-4-carbonyl)piperidine-4-carboxylic acid
CID 63123107
(4R)-4-[4-(1-aminoethyl)piperidine-1-carbonyl]-1,3-thiazolidin-2-one
CID 119520526
(4R)-4-(3-aminopyrrolidine-1-carbonyl)-1,3-thiazolidin-2-one;hydrochloride
CID 119483069
(2S)-1-[(4R)-2-oxo-1,3-thiazolidine-4-carbonyl]pyrrolidine-2-carboxylic acid
CID 28789670
(4R)-4-[3-(aminomethyl)pyrrolidine-1-carbonyl]-1,3-thiazolidin-2-one
CID 119486878
(4R)-3-(2-oxo-1,3-thiazolidine-4-carbonyl)-1,3-thiazolidine-4-carboxylic acid
CID 61144554
4-(5,8-difluoro-3,4-dihydro-1H-isoquinoline-2-carbonyl)-1,3-thiazolidin-2-one
CID 71974263
1-(2-oxo-1,3-thiazolidine-4-carbonyl)-3-(trifluoromethyl)pyrrolidine-3-carboxylic acid
CID 63710319
piperidine-1,4-dicarboxylic acid
CID 18542445
3-methyl-1-(2-oxo-1,3-thiazolidine-4-carbonyl)piperidine-2-carboxylic acid
CID 107069118
1-(2-oxo-1,3-thiazolidine-4-carbonyl)-3-propylpyrrolidine-3-carboxylic acid
CID 63144812

Frequently Asked Questions

What is the IUPAC name of 1-[(4R)-2-oxo-1,3-thiazolidine-4-carbonyl]piperidine-4-carboxylic acid?
The IUPAC name of 1-[(4R)-2-oxo-1,3-thiazolidine-4-carbonyl]piperidine-4-carboxylic acid (CID 28789368) is 1-[(4R)-2-oxo-1,3-thiazolidine-4-carbonyl]piperidine-4-carboxylic acid.
What is the SMILES notation for 1-[(4R)-2-oxo-1,3-thiazolidine-4-carbonyl]piperidine-4-carboxylic acid?
The canonical SMILES for 1-[(4R)-2-oxo-1,3-thiazolidine-4-carbonyl]piperidine-4-carboxylic acid is O=C1N[C@H](C(=O)N2CCC(C(=O)O)CC2)CS1.
What is the InChIKey of 1-[(4R)-2-oxo-1,3-thiazolidine-4-carbonyl]piperidine-4-carboxylic acid?
The InChIKey is IHZNTOCAGXYWTK-ZETCQYMHSA-N. The full InChI is InChI=1S/C10H14N2O4S/c13-8(7-5-17-10(16)11-7)12-3-1-6(2-4-12)9(14)15/h6-7H,1-5H2,(H,11,16)(H,14,15)/t7-/m0/s1.
What are the key properties of 1-[(4R)-2-oxo-1,3-thiazolidine-4-carbonyl]piperidine-4-carboxylic acid?
1-[(4R)-2-oxo-1,3-thiazolidine-4-carbonyl]piperidine-4-carboxylic acid has a molecular weight of 258.30 g/mol, XLogP of 0.13, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4R)-2-oxo-1,3-thiazolidine-4-carbonyl]piperidine-4-carboxylic acid is sourced from PubChem (CID 28789368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).