3-(2,2-dimethylcyclopentanecarbonyl)-1,3-thiazolidine-4-carboxylic acid

C12H19NO3S — CID 107175135

IUPAC3-(2,2-dimethylcyclopentanecarbonyl)-1,3-thiazolidine-4-carboxylic acid
SMILESCC1(C)CCCC1C(=O)N1CSCC1C(=O)O
InChIInChI=1S/C12H19NO3S/c1-12(2)5-3-4-8(12)10(14)13-7-17-6-9(13)11(15)16/h8-9H,3-7H2,1-2H3,(H,15,16)
InChIKeyJVKGWIFQELJMPK-UHFFFAOYSA-N
MW257.35 g/mol
LogP1.80
Rot. Bonds2

About 3-(2,2-dimethylcyclopentanecarbonyl)-1,3-thiazolidine-4-carboxylic acid

3-(2,2-dimethylcyclopentanecarbonyl)-1,3-thiazolidine-4-carboxylic acid (PubChem CID 107175135) has the molecular formula C12H19NO3S and a molecular weight of 257.35 g/mol. Its IUPAC name is 3-(2,2-dimethylcyclopentanecarbonyl)-1,3-thiazolidine-4-carboxylic acid.

Molecular Properties

Compound Name3-(2,2-dimethylcyclopentanecarbonyl)-1,3-thiazolidine-4-carboxylic acid
PubChem CID107175135
Molecular FormulaC12H19NO3S
Molecular Weight257.35 g/mol
Exact Mass257.11
IUPAC Name3-(2,2-dimethylcyclopentanecarbonyl)-1,3-thiazolidine-4-carboxylic acid
SMILESCC1(C)CCCC1C(=O)N1CSCC1C(=O)O
InChIInChI=1S/C12H19NO3S/c1-12(2)5-3-4-8(12)10(14)13-7-17-6-9(13)11(15)16/h8-9H,3-7H2,1-2H3,(H,15,16)
InChIKeyJVKGWIFQELJMPK-UHFFFAOYSA-N
XLogP1.80
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.35
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-1-(2,2-dimethylcyclopentanecarbonyl)pyrrolidine-2-carboxylic acid
CID 107175429
(4R)-3-(3,3-dimethylpiperidine-2-carbonyl)-1,3-thiazolidine-4-carboxylic acid
CID 114084097
(4R)-3-[(2,2-dimethylcyclopentyl)carbamoyl]-1,3-thiazolidine-4-carboxylic acid
CID 79878773
1-(2,2-dimethylcyclopentanecarbonyl)-4-ethylpiperidine-2-carboxylic acid
CID 107175943
(4R)-3-(4,4-dimethylazepane-1-carbonyl)-1,3-thiazolidine-4-carboxylic acid
CID 65282799
(4R)-3-(1-acetylpiperidine-4-carbonyl)-1,3-thiazolidine-4-carboxylic acid
CID 61144327
3-(1-aminocyclopropanecarbonyl)-1,3-thiazolidine-4-carboxylic acid
CID 65466419
3-(1-aminocyclobutanecarbonyl)-1,3-thiazolidine-4-carboxylic acid
CID 81172472
(4R)-3-[1-(2,2-dimethylpropanoyl)pyrrolidine-2-carbonyl]-1,3-thiazolidine-4-carboxylic acid
CID 61143191
3-(1-ethylsulfonylpiperidine-4-carbonyl)-1,3-thiazolidine-4-carboxylic acid
CID 43359164
(4R)-3-(7a-methyl-5-oxo-2,3,6,7-tetrahydropyrrolo[2,1-b][1,3]thiazole-3-carbonyl)-1,3-thiazolidine-4-carboxylic acid
CID 61145126
(2,2-dimethylcyclopentyl)-(4-hydroxypiperidin-1-yl)methanone
CID 104917952

Frequently Asked Questions

What is the IUPAC name of 3-(2,2-dimethylcyclopentanecarbonyl)-1,3-thiazolidine-4-carboxylic acid?
The IUPAC name of 3-(2,2-dimethylcyclopentanecarbonyl)-1,3-thiazolidine-4-carboxylic acid (CID 107175135) is 3-(2,2-dimethylcyclopentanecarbonyl)-1,3-thiazolidine-4-carboxylic acid.
What is the SMILES notation for 3-(2,2-dimethylcyclopentanecarbonyl)-1,3-thiazolidine-4-carboxylic acid?
The canonical SMILES for 3-(2,2-dimethylcyclopentanecarbonyl)-1,3-thiazolidine-4-carboxylic acid is CC1(C)CCCC1C(=O)N1CSCC1C(=O)O.
What is the InChIKey of 3-(2,2-dimethylcyclopentanecarbonyl)-1,3-thiazolidine-4-carboxylic acid?
The InChIKey is JVKGWIFQELJMPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NO3S/c1-12(2)5-3-4-8(12)10(14)13-7-17-6-9(13)11(15)16/h8-9H,3-7H2,1-2H3,(H,15,16).
What are the key properties of 3-(2,2-dimethylcyclopentanecarbonyl)-1,3-thiazolidine-4-carboxylic acid?
3-(2,2-dimethylcyclopentanecarbonyl)-1,3-thiazolidine-4-carboxylic acid has a molecular weight of 257.35 g/mol, XLogP of 1.80, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,2-dimethylcyclopentanecarbonyl)-1,3-thiazolidine-4-carboxylic acid is sourced from PubChem (CID 107175135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).