2,5,5-trimethyl-2-(2-oxo-2-piperidin-1-ylethyl)-1,3-thiazolidine-4-carboxylic acid

C14H24N2O3S — CID 3069936

IUPAC2,5,5-trimethyl-2-(2-oxo-2-piperidin-1-ylethyl)-1,3-thiazolidine-4-carboxylic acid
SMILESCC1(CC(=O)N2CCCCC2)NC(C(=O)O)C(C)(C)S1
InChIInChI=1S/C14H24N2O3S/c1-13(2)11(12(18)19)15-14(3,20-13)9-10(17)16-7-5-4-6-8-16/h11,15H,4-9H2,1-3H3,(H,18,19)
InChIKeyIZZXDPWXDGRIKH-UHFFFAOYSA-N
MW300.42 g/mol
LogP1.67
Rot. Bonds3

About 2,5,5-trimethyl-2-(2-oxo-2-piperidin-1-ylethyl)-1,3-thiazolidine-4-carboxylic acid

2,5,5-trimethyl-2-(2-oxo-2-piperidin-1-ylethyl)-1,3-thiazolidine-4-carboxylic acid (PubChem CID 3069936) has the molecular formula C14H24N2O3S and a molecular weight of 300.42 g/mol. Its IUPAC name is 2,5,5-trimethyl-2-(2-oxo-2-piperidin-1-ylethyl)-1,3-thiazolidine-4-carboxylic acid.

Molecular Properties

Compound Name2,5,5-trimethyl-2-(2-oxo-2-piperidin-1-ylethyl)-1,3-thiazolidine-4-carboxylic acid
PubChem CID3069936
Molecular FormulaC14H24N2O3S
Molecular Weight300.42 g/mol
Exact Mass300.15
IUPAC Name2,5,5-trimethyl-2-(2-oxo-2-piperidin-1-ylethyl)-1,3-thiazolidine-4-carboxylic acid
SMILESCC1(CC(=O)N2CCCCC2)NC(C(=O)O)C(C)(C)S1
InChIInChI=1S/C14H24N2O3S/c1-13(2)11(12(18)19)15-14(3,20-13)9-10(17)16-7-5-4-6-8-16/h11,15H,4-9H2,1-3H3,(H,18,19)
InChIKeyIZZXDPWXDGRIKH-UHFFFAOYSA-N
XLogP1.67
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.42
LogP ≤ 51.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-Thiazolidinecarboxylic acid, 2-(2-(dimethylamino)-2-oxoethyl)-2,5,5-trimethyl-
CID 3069931
4-Thiazolidinecarboxylic acid, 2,5,5-trimethyl-2-(2-oxo-2-(1-pyrrolidinyl)ethyl)-
CID 3069932
4-Thiazolidinecarboxylic acid, 2,5,5-trimethyl-2-(2-(4-morpholinyl)-2-oxoethyl)-
CID 3069933
4-Thiazolidinecarboxylic acid, 2-(2-(diethylamino)-2-oxoethyl)-2,5,5-trimethyl-
CID 3069937
4-Thiazolidinecarboxylic acid, 2,5,5-trimethyl-2-(2-(4-methyl-1-piperazinyl)-2-oxoethyl)-
CID 3069934
4-Thiazolidinecarboxylic acid, 2-(2-(3,5-dimethyl-1-piperidinyl)-2-oxoethyl)-2,5,5-trimethyl-
CID 3069935
6-Aminopenicilloyl-butylamine
CID 44602456
(3R)-8-methyl-1-thia-4,8-diazaspiro[4.5]decane-3-carboxylic acid
CID 21239724
(3R,6S)-6-amino-2,2-dimethyl-5-oxo-6,7,8,8a-tetrahydro-3H-[1,3]thiazolo[3,2-a]pyridine-3-carboxylic acid
CID 66605480
8-Methyl-1-thia-4,8-diazaspiro[4.5]decane-3-carboxylic acid
CID 69231762
(3R)-8-[(2-methylpropan-2-yl)oxycarbonyl]-1-thia-4,8-diazaspiro[4.5]decane-3-carboxylic acid
CID 70157909
2-(1-Amino-2-methyl-1-oxopropan-2-yl)-2,5,5-trimethyl-1,3-thiazolidine-4-carboxylic acid
CID 70556674

Frequently Asked Questions

What is the IUPAC name of 2,5,5-trimethyl-2-(2-oxo-2-piperidin-1-ylethyl)-1,3-thiazolidine-4-carboxylic acid?
The IUPAC name of 2,5,5-trimethyl-2-(2-oxo-2-piperidin-1-ylethyl)-1,3-thiazolidine-4-carboxylic acid (CID 3069936) is 2,5,5-trimethyl-2-(2-oxo-2-piperidin-1-ylethyl)-1,3-thiazolidine-4-carboxylic acid.
What is the SMILES notation for 2,5,5-trimethyl-2-(2-oxo-2-piperidin-1-ylethyl)-1,3-thiazolidine-4-carboxylic acid?
The canonical SMILES for 2,5,5-trimethyl-2-(2-oxo-2-piperidin-1-ylethyl)-1,3-thiazolidine-4-carboxylic acid is CC1(CC(=O)N2CCCCC2)NC(C(=O)O)C(C)(C)S1.
What is the InChIKey of 2,5,5-trimethyl-2-(2-oxo-2-piperidin-1-ylethyl)-1,3-thiazolidine-4-carboxylic acid?
The InChIKey is IZZXDPWXDGRIKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O3S/c1-13(2)11(12(18)19)15-14(3,20-13)9-10(17)16-7-5-4-6-8-16/h11,15H,4-9H2,1-3H3,(H,18,19).
What are the key properties of 2,5,5-trimethyl-2-(2-oxo-2-piperidin-1-ylethyl)-1,3-thiazolidine-4-carboxylic acid?
2,5,5-trimethyl-2-(2-oxo-2-piperidin-1-ylethyl)-1,3-thiazolidine-4-carboxylic acid has a molecular weight of 300.42 g/mol, XLogP of 1.67, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5,5-trimethyl-2-(2-oxo-2-piperidin-1-ylethyl)-1,3-thiazolidine-4-carboxylic acid is sourced from PubChem (CID 3069936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).