(2R)-2-(1-acetylpiperidin-3-yl)-1,3-thiazolidine-3,4-dicarboxylic acid

C12H18N2O5S — CID 91119271

IUPAC(2R)-2-(1-acetylpiperidin-3-yl)-1,3-thiazolidine-3,4-dicarboxylic acid
SMILESCC(=O)N1CCCC([C@H]2SCC(C(=O)O)N2C(=O)O)C1
InChIInChI=1S/C12H18N2O5S/c1-7(15)13-4-2-3-8(5-13)10-14(12(18)19)9(6-20-10)11(16)17/h8-10H,2-6H2,1H3,(H,16,17)(H,18,19)/t8?,9?,10-/m1/s1
InChIKeyLTXLZHORGCVEBJ-UDNWOFFPSA-N
MW302.35 g/mol
LogP0.75
Rot. Bonds2

About (2R)-2-(1-acetylpiperidin-3-yl)-1,3-thiazolidine-3,4-dicarboxylic acid

(2R)-2-(1-acetylpiperidin-3-yl)-1,3-thiazolidine-3,4-dicarboxylic acid (PubChem CID 91119271) has the molecular formula C12H18N2O5S and a molecular weight of 302.35 g/mol. Its IUPAC name is (2R)-2-(1-acetylpiperidin-3-yl)-1,3-thiazolidine-3,4-dicarboxylic acid.

Molecular Properties

Compound Name(2R)-2-(1-acetylpiperidin-3-yl)-1,3-thiazolidine-3,4-dicarboxylic acid
PubChem CID91119271
Molecular FormulaC12H18N2O5S
Molecular Weight302.35 g/mol
Exact Mass302.09
IUPAC Name(2R)-2-(1-acetylpiperidin-3-yl)-1,3-thiazolidine-3,4-dicarboxylic acid
SMILESCC(=O)N1CCCC([C@H]2SCC(C(=O)O)N2C(=O)O)C1
InChIInChI=1S/C12H18N2O5S/c1-7(15)13-4-2-3-8(5-13)10-14(12(18)19)9(6-20-10)11(16)17/h8-10H,2-6H2,1H3,(H,16,17)(H,18,19)/t8?,9?,10-/m1/s1
InChIKeyLTXLZHORGCVEBJ-UDNWOFFPSA-N
XLogP0.75
TPSA98.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.35
LogP ≤ 50.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2R)-2-(1-acetylpiperidin-3-yl)-1,3-thiazolidine-3,4-dicarboxylic acid?
The IUPAC name of (2R)-2-(1-acetylpiperidin-3-yl)-1,3-thiazolidine-3,4-dicarboxylic acid (CID 91119271) is (2R)-2-(1-acetylpiperidin-3-yl)-1,3-thiazolidine-3,4-dicarboxylic acid.
What is the SMILES notation for (2R)-2-(1-acetylpiperidin-3-yl)-1,3-thiazolidine-3,4-dicarboxylic acid?
The canonical SMILES for (2R)-2-(1-acetylpiperidin-3-yl)-1,3-thiazolidine-3,4-dicarboxylic acid is CC(=O)N1CCCC([C@H]2SCC(C(=O)O)N2C(=O)O)C1.
What is the InChIKey of (2R)-2-(1-acetylpiperidin-3-yl)-1,3-thiazolidine-3,4-dicarboxylic acid?
The InChIKey is LTXLZHORGCVEBJ-UDNWOFFPSA-N. The full InChI is InChI=1S/C12H18N2O5S/c1-7(15)13-4-2-3-8(5-13)10-14(12(18)19)9(6-20-10)11(16)17/h8-10H,2-6H2,1H3,(H,16,17)(H,18,19)/t8?,9?,10-/m1/s1.
What are the key properties of (2R)-2-(1-acetylpiperidin-3-yl)-1,3-thiazolidine-3,4-dicarboxylic acid?
(2R)-2-(1-acetylpiperidin-3-yl)-1,3-thiazolidine-3,4-dicarboxylic acid has a molecular weight of 302.35 g/mol, XLogP of 0.75, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(1-acetylpiperidin-3-yl)-1,3-thiazolidine-3,4-dicarboxylic acid is sourced from PubChem (CID 91119271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).