1-(2-oxo-1,3-thiazolidine-4-carbonyl)piperidine-3,4-dicarboxylic acid

C11H14N2O6S — CID 115918403

IUPAC1-(2-oxo-1,3-thiazolidine-4-carbonyl)piperidine-3,4-dicarboxylic acid
SMILESO=C1NC(C(=O)N2CCC(C(=O)O)C(C(=O)O)C2)CS1
InChIInChI=1S/C11H14N2O6S/c14-8(7-4-20-11(19)12-7)13-2-1-5(9(15)16)6(3-13)10(17)18/h5-7H,1-4H2,(H,12,19)(H,15,16)(H,17,18)
InChIKeyLCBFJWPVBQIQMA-UHFFFAOYSA-N
MW302.31 g/mol
LogP-0.55
Rot. Bonds3

About 1-(2-oxo-1,3-thiazolidine-4-carbonyl)piperidine-3,4-dicarboxylic acid

1-(2-oxo-1,3-thiazolidine-4-carbonyl)piperidine-3,4-dicarboxylic acid (PubChem CID 115918403) has the molecular formula C11H14N2O6S and a molecular weight of 302.31 g/mol. Its IUPAC name is 1-(2-oxo-1,3-thiazolidine-4-carbonyl)piperidine-3,4-dicarboxylic acid.

Molecular Properties

Compound Name1-(2-oxo-1,3-thiazolidine-4-carbonyl)piperidine-3,4-dicarboxylic acid
PubChem CID115918403
Molecular FormulaC11H14N2O6S
Molecular Weight302.31 g/mol
Exact Mass302.06
IUPAC Name1-(2-oxo-1,3-thiazolidine-4-carbonyl)piperidine-3,4-dicarboxylic acid
SMILESO=C1NC(C(=O)N2CCC(C(=O)O)C(C(=O)O)C2)CS1
InChIInChI=1S/C11H14N2O6S/c14-8(7-4-20-11(19)12-7)13-2-1-5(9(15)16)6(3-13)10(17)18/h5-7H,1-4H2,(H,12,19)(H,15,16)(H,17,18)
InChIKeyLCBFJWPVBQIQMA-UHFFFAOYSA-N
XLogP-0.55
TPSA124.01 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.31
LogP ≤ 5-0.55
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

(4R)-4-(3-aminopyrrolidine-1-carbonyl)-1,3-thiazolidin-2-one;hydrochloride
CID 119483069
1-[(4R)-2-oxo-1,3-thiazolidine-4-carbonyl]piperidine-4-carboxylic acid
CID 28789368
(4R)-4-[3-(aminomethyl)pyrrolidine-1-carbonyl]-1,3-thiazolidin-2-one
CID 119486878
1-(5-oxopyrrolidine-2-carbonyl)piperidine-3,4-dicarboxylic acid
CID 115918284
4-methyl-1-(2-oxo-1,3-thiazolidine-4-carbonyl)piperidine-4-carboxylic acid
CID 63123107
(2S)-1-[(4R)-2-oxo-1,3-thiazolidine-4-carbonyl]pyrrolidine-2-carboxylic acid
CID 28789670
(4R)-4-[4-(1-aminoethyl)piperidine-1-carbonyl]-1,3-thiazolidin-2-one
CID 119520526
3-methyl-1-(2-oxo-1,3-thiazolidine-4-carbonyl)piperidine-2-carboxylic acid
CID 107069118
(4R)-3-(2-oxo-1,3-thiazolidine-4-carbonyl)-1,3-thiazolidine-4-carboxylic acid
CID 61144554
(4S)-4-(2-azaspiro[4.4]nonane-2-carbonyl)-1,3-thiazolidin-2-one
CID 99775088
1-(bicyclo[3.1.0]hexane-3-carbonyl)piperidine-3,4-dicarboxylic acid
CID 115918202
1-(2-oxo-1,3-thiazolidine-4-carbonyl)-3-(trifluoromethyl)pyrrolidine-3-carboxylic acid
CID 63710319

Frequently Asked Questions

What is the IUPAC name of 1-(2-oxo-1,3-thiazolidine-4-carbonyl)piperidine-3,4-dicarboxylic acid?
The IUPAC name of 1-(2-oxo-1,3-thiazolidine-4-carbonyl)piperidine-3,4-dicarboxylic acid (CID 115918403) is 1-(2-oxo-1,3-thiazolidine-4-carbonyl)piperidine-3,4-dicarboxylic acid.
What is the SMILES notation for 1-(2-oxo-1,3-thiazolidine-4-carbonyl)piperidine-3,4-dicarboxylic acid?
The canonical SMILES for 1-(2-oxo-1,3-thiazolidine-4-carbonyl)piperidine-3,4-dicarboxylic acid is O=C1NC(C(=O)N2CCC(C(=O)O)C(C(=O)O)C2)CS1.
What is the InChIKey of 1-(2-oxo-1,3-thiazolidine-4-carbonyl)piperidine-3,4-dicarboxylic acid?
The InChIKey is LCBFJWPVBQIQMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2O6S/c14-8(7-4-20-11(19)12-7)13-2-1-5(9(15)16)6(3-13)10(17)18/h5-7H,1-4H2,(H,12,19)(H,15,16)(H,17,18).
What are the key properties of 1-(2-oxo-1,3-thiazolidine-4-carbonyl)piperidine-3,4-dicarboxylic acid?
1-(2-oxo-1,3-thiazolidine-4-carbonyl)piperidine-3,4-dicarboxylic acid has a molecular weight of 302.31 g/mol, XLogP of -0.55, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-oxo-1,3-thiazolidine-4-carbonyl)piperidine-3,4-dicarboxylic acid is sourced from PubChem (CID 115918403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).