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

C14H22N2O3S — CID 104596836

IUPAC2-cyclopropyl-3-(2-methylpiperidine-2-carbonyl)-1,3-thiazolidine-4-carboxylic acid
SMILESCC1(C(=O)N2C(C(=O)O)CSC2C2CC2)CCCCN1
InChIInChI=1S/C14H22N2O3S/c1-14(6-2-3-7-15-14)13(19)16-10(12(17)18)8-20-11(16)9-4-5-9/h9-11,15H,2-8H2,1H3,(H,17,18)
InChIKeyZBWKNMZFROQAIS-UHFFFAOYSA-N
MW298.41 g/mol
LogP1.28
Rot. Bonds3

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

2-cyclopropyl-3-(2-methylpiperidine-2-carbonyl)-1,3-thiazolidine-4-carboxylic acid (PubChem CID 104596836) has the molecular formula C14H22N2O3S and a molecular weight of 298.41 g/mol. Its IUPAC name is 2-cyclopropyl-3-(2-methylpiperidine-2-carbonyl)-1,3-thiazolidine-4-carboxylic acid.

Molecular Properties

Compound Name2-cyclopropyl-3-(2-methylpiperidine-2-carbonyl)-1,3-thiazolidine-4-carboxylic acid
PubChem CID104596836
Molecular FormulaC14H22N2O3S
Molecular Weight298.41 g/mol
Exact Mass298.14
IUPAC Name2-cyclopropyl-3-(2-methylpiperidine-2-carbonyl)-1,3-thiazolidine-4-carboxylic acid
SMILESCC1(C(=O)N2C(C(=O)O)CSC2C2CC2)CCCCN1
InChIInChI=1S/C14H22N2O3S/c1-14(6-2-3-7-15-14)13(19)16-10(12(17)18)8-20-11(16)9-4-5-9/h9-11,15H,2-8H2,1H3,(H,17,18)
InChIKeyZBWKNMZFROQAIS-UHFFFAOYSA-N
XLogP1.28
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.41
LogP ≤ 51.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-cyclopropyl-3-(2-ethylpyrrolidine-2-carbonyl)-1,3-thiazolidine-4-carboxylic acid
CID 83071546
2-cyclopropyl-3-(4-methylpiperidine-4-carbonyl)-1,3-thiazolidine-4-carboxylic acid
CID 63790632
3-[1-(aminomethyl)cyclobutanecarbonyl]-2-cyclopropyl-1,3-thiazolidine-4-carboxylic acid
CID 115448562
3-[2-(1-aminocyclobutyl)acetyl]-2-cyclopropyl-1,3-thiazolidine-4-carboxylic acid
CID 79853620
4-methyl-1-(2-methylpiperidine-2-carbonyl)piperidine-2-carboxylic acid
CID 114424707
3-(2-cyclohexylacetyl)-2-cyclopropyl-1,3-thiazolidine-4-carboxylic acid
CID 63782130
2-cyclopropyl-3-(ethylcarbamoyl)-1,3-thiazolidine-4-carboxylic acid
CID 63792239
(2R,4R)-4-hydroxy-1-(2-methylpiperidine-2-carbonyl)pyrrolidine-2-carboxylic acid
CID 113430852
2-cyclopropyl-3-(3-methylpyrrolidine-2-carbonyl)-1,3-thiazolidine-4-carboxylic acid
CID 102779476
2-cyclopropyl-3-propan-2-yloxycarbonyl-1,3-thiazolidine-4-carboxylic acid
CID 63782007
2-methyl-1-(2-methylpiperidine-2-carbonyl)pyrrolidine-3-carboxylic acid
CID 104596985
3-(1-aminocyclohexanecarbonyl)-2-methyl-1,3-thiazolidine-4-carboxylic acid
CID 63791466

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-3-(2-methylpiperidine-2-carbonyl)-1,3-thiazolidine-4-carboxylic acid?
The IUPAC name of 2-cyclopropyl-3-(2-methylpiperidine-2-carbonyl)-1,3-thiazolidine-4-carboxylic acid (CID 104596836) is 2-cyclopropyl-3-(2-methylpiperidine-2-carbonyl)-1,3-thiazolidine-4-carboxylic acid.
What is the SMILES notation for 2-cyclopropyl-3-(2-methylpiperidine-2-carbonyl)-1,3-thiazolidine-4-carboxylic acid?
The canonical SMILES for 2-cyclopropyl-3-(2-methylpiperidine-2-carbonyl)-1,3-thiazolidine-4-carboxylic acid is CC1(C(=O)N2C(C(=O)O)CSC2C2CC2)CCCCN1.
What is the InChIKey of 2-cyclopropyl-3-(2-methylpiperidine-2-carbonyl)-1,3-thiazolidine-4-carboxylic acid?
The InChIKey is ZBWKNMZFROQAIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O3S/c1-14(6-2-3-7-15-14)13(19)16-10(12(17)18)8-20-11(16)9-4-5-9/h9-11,15H,2-8H2,1H3,(H,17,18).
What are the key properties of 2-cyclopropyl-3-(2-methylpiperidine-2-carbonyl)-1,3-thiazolidine-4-carboxylic acid?
2-cyclopropyl-3-(2-methylpiperidine-2-carbonyl)-1,3-thiazolidine-4-carboxylic acid has a molecular weight of 298.41 g/mol, XLogP of 1.28, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-3-(2-methylpiperidine-2-carbonyl)-1,3-thiazolidine-4-carboxylic acid is sourced from PubChem (CID 104596836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).