2-cyclopropyl-3-(2,3-dimethylpiperidine-1-carbonyl)-1,3-thiazolidine-4-carboxylic acid

C15H24N2O3S — CID 63780473

IUPAC2-cyclopropyl-3-(2,3-dimethylpiperidine-1-carbonyl)-1,3-thiazolidine-4-carboxylic acid
SMILESCC1CCCN(C(=O)N2C(C(=O)O)CSC2C2CC2)C1C
InChIInChI=1S/C15H24N2O3S/c1-9-4-3-7-16(10(9)2)15(20)17-12(14(18)19)8-21-13(17)11-5-6-11/h9-13H,3-8H2,1-2H3,(H,18,19)
InChIKeyOEROTQIRJUTDKF-UHFFFAOYSA-N
MW312.44 g/mol
LogP2.46
Rot. Bonds2

About 2-cyclopropyl-3-(2,3-dimethylpiperidine-1-carbonyl)-1,3-thiazolidine-4-carboxylic acid

2-cyclopropyl-3-(2,3-dimethylpiperidine-1-carbonyl)-1,3-thiazolidine-4-carboxylic acid (PubChem CID 63780473) has the molecular formula C15H24N2O3S and a molecular weight of 312.44 g/mol. Its IUPAC name is 2-cyclopropyl-3-(2,3-dimethylpiperidine-1-carbonyl)-1,3-thiazolidine-4-carboxylic acid.

Molecular Properties

Compound Name2-cyclopropyl-3-(2,3-dimethylpiperidine-1-carbonyl)-1,3-thiazolidine-4-carboxylic acid
PubChem CID63780473
Molecular FormulaC15H24N2O3S
Molecular Weight312.44 g/mol
Exact Mass312.15
IUPAC Name2-cyclopropyl-3-(2,3-dimethylpiperidine-1-carbonyl)-1,3-thiazolidine-4-carboxylic acid
SMILESCC1CCCN(C(=O)N2C(C(=O)O)CSC2C2CC2)C1C
InChIInChI=1S/C15H24N2O3S/c1-9-4-3-7-16(10(9)2)15(20)17-12(14(18)19)8-21-13(17)11-5-6-11/h9-13H,3-8H2,1-2H3,(H,18,19)
InChIKeyOEROTQIRJUTDKF-UHFFFAOYSA-N
XLogP2.46
TPSA60.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.44
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-cyclopropyl-3-(2-methylpiperidine-1-carbonyl)-1,3-thiazolidine-4-carboxylic acid
CID 63792218
(2R)-1-(2,3-dimethylpiperidine-1-carbonyl)pyrrolidine-2-carboxylic acid
CID 78922537
3-[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-1-carbonyl]-2-methyl-1,3-thiazolidine-4-carboxylic acid
CID 102727462
2-cyclopropyl-3-(3-ethylmorpholine-4-carbonyl)-1,3-thiazolidine-4-carboxylic acid
CID 63780021
2-cyclopropyl-3-(3-methylpyrrolidine-2-carbonyl)-1,3-thiazolidine-4-carboxylic acid
CID 102779476
3-(2-ethylpyrrolidine-1-carbonyl)-2-methyl-1,3-thiazolidine-4-carboxylic acid
CID 63780738
2-cyclopropyl-3-propan-2-yloxycarbonyl-1,3-thiazolidine-4-carboxylic acid
CID 63782007
2-cyclopropyl-3-(piperidin-1-ylcarbamoyl)-1,3-thiazolidine-4-carboxylic acid
CID 83019725
(2,3-dimethylpiperidin-1-yl)-pyrrolidin-1-ylmethanone
CID 115665198
2-cyclopropyl-3-(ethylcarbamoyl)-1,3-thiazolidine-4-carboxylic acid
CID 63792239
3-(2-cyclohexylacetyl)-2-cyclopropyl-1,3-thiazolidine-4-carboxylic acid
CID 63782130
(2R)-2-(1-acetylpiperidin-3-yl)-1,3-thiazolidine-3,4-dicarboxylic acid
CID 91119271

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-3-(2,3-dimethylpiperidine-1-carbonyl)-1,3-thiazolidine-4-carboxylic acid?
The IUPAC name of 2-cyclopropyl-3-(2,3-dimethylpiperidine-1-carbonyl)-1,3-thiazolidine-4-carboxylic acid (CID 63780473) is 2-cyclopropyl-3-(2,3-dimethylpiperidine-1-carbonyl)-1,3-thiazolidine-4-carboxylic acid.
What is the SMILES notation for 2-cyclopropyl-3-(2,3-dimethylpiperidine-1-carbonyl)-1,3-thiazolidine-4-carboxylic acid?
The canonical SMILES for 2-cyclopropyl-3-(2,3-dimethylpiperidine-1-carbonyl)-1,3-thiazolidine-4-carboxylic acid is CC1CCCN(C(=O)N2C(C(=O)O)CSC2C2CC2)C1C.
What is the InChIKey of 2-cyclopropyl-3-(2,3-dimethylpiperidine-1-carbonyl)-1,3-thiazolidine-4-carboxylic acid?
The InChIKey is OEROTQIRJUTDKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O3S/c1-9-4-3-7-16(10(9)2)15(20)17-12(14(18)19)8-21-13(17)11-5-6-11/h9-13H,3-8H2,1-2H3,(H,18,19).
What are the key properties of 2-cyclopropyl-3-(2,3-dimethylpiperidine-1-carbonyl)-1,3-thiazolidine-4-carboxylic acid?
2-cyclopropyl-3-(2,3-dimethylpiperidine-1-carbonyl)-1,3-thiazolidine-4-carboxylic acid has a molecular weight of 312.44 g/mol, XLogP of 2.46, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-3-(2,3-dimethylpiperidine-1-carbonyl)-1,3-thiazolidine-4-carboxylic acid is sourced from PubChem (CID 63780473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).