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

C13H22N2O3S — CID 64823094

IUPAC3-(2-aminocyclopentanecarbonyl)-2-propan-2-yl-1,3-thiazolidine-4-carboxylic acid
SMILESCC(C)C1SCC(C(=O)O)N1C(=O)C1CCCC1N
InChIInChI=1S/C13H22N2O3S/c1-7(2)12-15(10(6-19-12)13(17)18)11(16)8-4-3-5-9(8)14/h7-10,12H,3-6,14H2,1-2H3,(H,17,18)
InChIKeyKSDKLHOUKSIPPP-UHFFFAOYSA-N
MW286.40 g/mol
LogP1.12
Rot. Bonds3

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

3-(2-aminocyclopentanecarbonyl)-2-propan-2-yl-1,3-thiazolidine-4-carboxylic acid (PubChem CID 64823094) has the molecular formula C13H22N2O3S and a molecular weight of 286.40 g/mol. Its IUPAC name is 3-(2-aminocyclopentanecarbonyl)-2-propan-2-yl-1,3-thiazolidine-4-carboxylic acid.

Molecular Properties

Compound Name3-(2-aminocyclopentanecarbonyl)-2-propan-2-yl-1,3-thiazolidine-4-carboxylic acid
PubChem CID64823094
Molecular FormulaC13H22N2O3S
Molecular Weight286.40 g/mol
Exact Mass286.14
IUPAC Name3-(2-aminocyclopentanecarbonyl)-2-propan-2-yl-1,3-thiazolidine-4-carboxylic acid
SMILESCC(C)C1SCC(C(=O)O)N1C(=O)C1CCCC1N
InChIInChI=1S/C13H22N2O3S/c1-7(2)12-15(10(6-19-12)13(17)18)11(16)8-4-3-5-9(8)14/h7-10,12H,3-6,14H2,1-2H3,(H,17,18)
InChIKeyKSDKLHOUKSIPPP-UHFFFAOYSA-N
XLogP1.12
TPSA83.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.40
LogP ≤ 51.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-(2-aminocyclopentanecarbonyl)-2-propyl-1,3-thiazolidine-4-carboxylic acid
CID 64823092
3-(2-methylpyrrolidine-3-carbonyl)-2-propan-2-yl-1,3-thiazolidine-4-carboxylic acid
CID 79384309
3-(oxolane-2-carbonyl)-2-propan-2-yl-1,3-thiazolidine-4-carboxylic acid
CID 63781031
3-methoxycarbonyl-2-propan-2-yl-1,3-thiazolidine-4-carboxylic acid
CID 63781303
3-[2-(1-aminocyclopentyl)acetyl]-2-propan-2-yl-1,3-thiazolidine-4-carboxylic acid
CID 64677874
3-(3-amino-2,2-dimethylpropanoyl)-2-propan-2-yl-1,3-thiazolidine-4-carboxylic acid
CID 113307662
3-(dicyclopropylmethylcarbamoyl)-2-propan-2-yl-1,3-thiazolidine-4-carboxylic acid
CID 63780949
3-[(2,2-dimethylcyclopentyl)carbamoyl]-2-propan-2-yl-1,3-thiazolidine-4-carboxylic acid
CID 79870207
(2-aminocyclopentyl)-(2,6-dimethylpiperidin-1-yl)methanone
CID 64816010
3-(cyclopropylmethylcarbamoyl)-2-propan-2-yl-1,3-thiazolidine-4-carboxylic acid
CID 63792580
3-[(E)-4-aminobut-2-enoyl]-2-propan-2-yl-1,3-thiazolidine-4-carboxylic acid
CID 112746829
3-(2-ethylpyrrolidine-1-carbonyl)-2-propan-2-yl-1,3-thiazolidine-4-carboxylic acid
CID 63780737

Frequently Asked Questions

What is the IUPAC name of 3-(2-aminocyclopentanecarbonyl)-2-propan-2-yl-1,3-thiazolidine-4-carboxylic acid?
The IUPAC name of 3-(2-aminocyclopentanecarbonyl)-2-propan-2-yl-1,3-thiazolidine-4-carboxylic acid (CID 64823094) is 3-(2-aminocyclopentanecarbonyl)-2-propan-2-yl-1,3-thiazolidine-4-carboxylic acid.
What is the SMILES notation for 3-(2-aminocyclopentanecarbonyl)-2-propan-2-yl-1,3-thiazolidine-4-carboxylic acid?
The canonical SMILES for 3-(2-aminocyclopentanecarbonyl)-2-propan-2-yl-1,3-thiazolidine-4-carboxylic acid is CC(C)C1SCC(C(=O)O)N1C(=O)C1CCCC1N.
What is the InChIKey of 3-(2-aminocyclopentanecarbonyl)-2-propan-2-yl-1,3-thiazolidine-4-carboxylic acid?
The InChIKey is KSDKLHOUKSIPPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O3S/c1-7(2)12-15(10(6-19-12)13(17)18)11(16)8-4-3-5-9(8)14/h7-10,12H,3-6,14H2,1-2H3,(H,17,18).
What are the key properties of 3-(2-aminocyclopentanecarbonyl)-2-propan-2-yl-1,3-thiazolidine-4-carboxylic acid?
3-(2-aminocyclopentanecarbonyl)-2-propan-2-yl-1,3-thiazolidine-4-carboxylic acid has a molecular weight of 286.40 g/mol, XLogP of 1.12, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-aminocyclopentanecarbonyl)-2-propan-2-yl-1,3-thiazolidine-4-carboxylic acid is sourced from PubChem (CID 64823094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).