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

C14H22N2O3S — CID 63792218

IUPAC2-cyclopropyl-3-(2-methylpiperidine-1-carbonyl)-1,3-thiazolidine-4-carboxylic acid
SMILESCC1CCCCN1C(=O)N1C(C(=O)O)CSC1C1CC1
InChIInChI=1S/C14H22N2O3S/c1-9-4-2-3-7-15(9)14(19)16-11(13(17)18)8-20-12(16)10-5-6-10/h9-12H,2-8H2,1H3,(H,17,18)
InChIKeyRUYIRQHHMLRXRA-UHFFFAOYSA-N
MW298.41 g/mol
LogP2.22
Rot. Bonds2

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

2-cyclopropyl-3-(2-methylpiperidine-1-carbonyl)-1,3-thiazolidine-4-carboxylic acid (PubChem CID 63792218) has the molecular formula C14H22N2O3S and a molecular weight of 298.41 g/mol. Its IUPAC name is 2-cyclopropyl-3-(2-methylpiperidine-1-carbonyl)-1,3-thiazolidine-4-carboxylic acid.

Molecular Properties

Compound Name2-cyclopropyl-3-(2-methylpiperidine-1-carbonyl)-1,3-thiazolidine-4-carboxylic acid
PubChem CID63792218
Molecular FormulaC14H22N2O3S
Molecular Weight298.41 g/mol
Exact Mass298.14
IUPAC Name2-cyclopropyl-3-(2-methylpiperidine-1-carbonyl)-1,3-thiazolidine-4-carboxylic acid
SMILESCC1CCCCN1C(=O)N1C(C(=O)O)CSC1C1CC1
InChIInChI=1S/C14H22N2O3S/c1-9-4-2-3-7-15(9)14(19)16-11(13(17)18)8-20-12(16)10-5-6-10/h9-12H,2-8H2,1H3,(H,17,18)
InChIKeyRUYIRQHHMLRXRA-UHFFFAOYSA-N
XLogP2.22
TPSA60.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.41
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-3-(2-methylpiperidine-1-carbonyl)-1,3-thiazolidine-4-carboxylic acid?
The IUPAC name of 2-cyclopropyl-3-(2-methylpiperidine-1-carbonyl)-1,3-thiazolidine-4-carboxylic acid (CID 63792218) is 2-cyclopropyl-3-(2-methylpiperidine-1-carbonyl)-1,3-thiazolidine-4-carboxylic acid.
What is the SMILES notation for 2-cyclopropyl-3-(2-methylpiperidine-1-carbonyl)-1,3-thiazolidine-4-carboxylic acid?
The canonical SMILES for 2-cyclopropyl-3-(2-methylpiperidine-1-carbonyl)-1,3-thiazolidine-4-carboxylic acid is CC1CCCCN1C(=O)N1C(C(=O)O)CSC1C1CC1.
What is the InChIKey of 2-cyclopropyl-3-(2-methylpiperidine-1-carbonyl)-1,3-thiazolidine-4-carboxylic acid?
The InChIKey is RUYIRQHHMLRXRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O3S/c1-9-4-2-3-7-15(9)14(19)16-11(13(17)18)8-20-12(16)10-5-6-10/h9-12H,2-8H2,1H3,(H,17,18).
What are the key properties of 2-cyclopropyl-3-(2-methylpiperidine-1-carbonyl)-1,3-thiazolidine-4-carboxylic acid?
2-cyclopropyl-3-(2-methylpiperidine-1-carbonyl)-1,3-thiazolidine-4-carboxylic acid has a molecular weight of 298.41 g/mol, XLogP of 2.22, 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-methylpiperidine-1-carbonyl)-1,3-thiazolidine-4-carboxylic acid is sourced from PubChem (CID 63792218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).