3-(2-aminocyclopentanecarbonyl)-2-propyl-1,3-thiazolidine-4-carboxylic acid

C13H22N2O3S — CID 64823092

IUPAC3-(2-aminocyclopentanecarbonyl)-2-propyl-1,3-thiazolidine-4-carboxylic acid
SMILESCCCC1SCC(C(=O)O)N1C(=O)C1CCCC1N
InChIInChI=1S/C13H22N2O3S/c1-2-4-11-15(10(7-19-11)13(17)18)12(16)8-5-3-6-9(8)14/h8-11H,2-7,14H2,1H3,(H,17,18)
InChIKeyIENCXFWSFATFEO-UHFFFAOYSA-N
MW286.40 g/mol
LogP1.27
Rot. Bonds4

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

3-(2-aminocyclopentanecarbonyl)-2-propyl-1,3-thiazolidine-4-carboxylic acid (PubChem CID 64823092) has the molecular formula C13H22N2O3S and a molecular weight of 286.40 g/mol. Its IUPAC name is 3-(2-aminocyclopentanecarbonyl)-2-propyl-1,3-thiazolidine-4-carboxylic acid.

Molecular Properties

Compound Name3-(2-aminocyclopentanecarbonyl)-2-propyl-1,3-thiazolidine-4-carboxylic acid
PubChem CID64823092
Molecular FormulaC13H22N2O3S
Molecular Weight286.40 g/mol
Exact Mass286.14
IUPAC Name3-(2-aminocyclopentanecarbonyl)-2-propyl-1,3-thiazolidine-4-carboxylic acid
SMILESCCCC1SCC(C(=O)O)N1C(=O)C1CCCC1N
InChIInChI=1S/C13H22N2O3S/c1-2-4-11-15(10(7-19-11)13(17)18)12(16)8-5-3-6-9(8)14/h8-11H,2-7,14H2,1H3,(H,17,18)
InChIKeyIENCXFWSFATFEO-UHFFFAOYSA-N
XLogP1.27
TPSA83.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.40
LogP ≤ 51.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-(2-aminocyclopentanecarbonyl)-2-propan-2-yl-1,3-thiazolidine-4-carboxylic acid
CID 64823094
3-(piperidine-4-carbonyl)-2-propyl-1,3-thiazolidine-4-carboxylic acid
CID 63792541
3-(azepane-2-carbonyl)-2-propyl-1,3-thiazolidine-4-carboxylic acid
CID 64568961
3-[cyclohexyl(methyl)carbamoyl]-2-propyl-1,3-thiazolidine-4-carboxylic acid
CID 63780501
3-[(2S)-2-aminopropanoyl]-2-propyl-1,3-thiazolidine-4-carboxylic acid
CID 63790612
3-(3-aminopyrrolidine-1-carbonyl)-2-propyl-1,3-thiazolidine-4-carboxylic acid
CID 55236110
(2S,4S)-3-pentanoyl-2-propyl-1,3-thiazolidine-4-carboxylic acid
CID 7437958
3-[cyclopropyl(ethyl)carbamoyl]-2-propyl-1,3-thiazolidine-4-carboxylic acid
CID 63781419
3-[(2S)-2-amino-3-methylbutanoyl]-2-propyl-1,3-thiazolidine-4-carboxylic acid
CID 55235516
3-(5-methyloxolane-3-carbonyl)-2-propyl-1,3-thiazolidine-4-carboxylic acid
CID 114824462
3-[(1-methylpiperidin-4-yl)carbamoyl]-2-propyl-1,3-thiazolidine-4-carboxylic acid
CID 63780709
3-[(2,2-dimethylcyclopentyl)carbamoyl]-2-propyl-1,3-thiazolidine-4-carboxylic acid
CID 79872072

Frequently Asked Questions

What is the IUPAC name of 3-(2-aminocyclopentanecarbonyl)-2-propyl-1,3-thiazolidine-4-carboxylic acid?
The IUPAC name of 3-(2-aminocyclopentanecarbonyl)-2-propyl-1,3-thiazolidine-4-carboxylic acid (CID 64823092) is 3-(2-aminocyclopentanecarbonyl)-2-propyl-1,3-thiazolidine-4-carboxylic acid.
What is the SMILES notation for 3-(2-aminocyclopentanecarbonyl)-2-propyl-1,3-thiazolidine-4-carboxylic acid?
The canonical SMILES for 3-(2-aminocyclopentanecarbonyl)-2-propyl-1,3-thiazolidine-4-carboxylic acid is CCCC1SCC(C(=O)O)N1C(=O)C1CCCC1N.
What is the InChIKey of 3-(2-aminocyclopentanecarbonyl)-2-propyl-1,3-thiazolidine-4-carboxylic acid?
The InChIKey is IENCXFWSFATFEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O3S/c1-2-4-11-15(10(7-19-11)13(17)18)12(16)8-5-3-6-9(8)14/h8-11H,2-7,14H2,1H3,(H,17,18).
What are the key properties of 3-(2-aminocyclopentanecarbonyl)-2-propyl-1,3-thiazolidine-4-carboxylic acid?
3-(2-aminocyclopentanecarbonyl)-2-propyl-1,3-thiazolidine-4-carboxylic acid has a molecular weight of 286.40 g/mol, XLogP of 1.27, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-aminocyclopentanecarbonyl)-2-propyl-1,3-thiazolidine-4-carboxylic acid is sourced from PubChem (CID 64823092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).