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

C14H22N2O3S — CID 63790632

IUPAC2-cyclopropyl-3-(4-methylpiperidine-4-carbonyl)-1,3-thiazolidine-4-carboxylic acid
SMILESCC1(C(=O)N2C(C(=O)O)CSC2C2CC2)CCNCC1
InChIInChI=1S/C14H22N2O3S/c1-14(4-6-15-7-5-14)13(19)16-10(12(17)18)8-20-11(16)9-2-3-9/h9-11,15H,2-8H2,1H3,(H,17,18)
InChIKeyIJOKEAHGRUTNGV-UHFFFAOYSA-N
MW298.41 g/mol
LogP1.14
Rot. Bonds3

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

2-cyclopropyl-3-(4-methylpiperidine-4-carbonyl)-1,3-thiazolidine-4-carboxylic acid (PubChem CID 63790632) has the molecular formula C14H22N2O3S and a molecular weight of 298.41 g/mol. Its IUPAC name is 2-cyclopropyl-3-(4-methylpiperidine-4-carbonyl)-1,3-thiazolidine-4-carboxylic acid.

Molecular Properties

Compound Name2-cyclopropyl-3-(4-methylpiperidine-4-carbonyl)-1,3-thiazolidine-4-carboxylic acid
PubChem CID63790632
Molecular FormulaC14H22N2O3S
Molecular Weight298.41 g/mol
Exact Mass298.14
IUPAC Name2-cyclopropyl-3-(4-methylpiperidine-4-carbonyl)-1,3-thiazolidine-4-carboxylic acid
SMILESCC1(C(=O)N2C(C(=O)O)CSC2C2CC2)CCNCC1
InChIInChI=1S/C14H22N2O3S/c1-14(4-6-15-7-5-14)13(19)16-10(12(17)18)8-20-11(16)9-2-3-9/h9-11,15H,2-8H2,1H3,(H,17,18)
InChIKeyIJOKEAHGRUTNGV-UHFFFAOYSA-N
XLogP1.14
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 ≤ 51.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-3-(4-methylpiperidine-4-carbonyl)-1,3-thiazolidine-4-carboxylic acid?
The IUPAC name of 2-cyclopropyl-3-(4-methylpiperidine-4-carbonyl)-1,3-thiazolidine-4-carboxylic acid (CID 63790632) is 2-cyclopropyl-3-(4-methylpiperidine-4-carbonyl)-1,3-thiazolidine-4-carboxylic acid.
What is the SMILES notation for 2-cyclopropyl-3-(4-methylpiperidine-4-carbonyl)-1,3-thiazolidine-4-carboxylic acid?
The canonical SMILES for 2-cyclopropyl-3-(4-methylpiperidine-4-carbonyl)-1,3-thiazolidine-4-carboxylic acid is CC1(C(=O)N2C(C(=O)O)CSC2C2CC2)CCNCC1.
What is the InChIKey of 2-cyclopropyl-3-(4-methylpiperidine-4-carbonyl)-1,3-thiazolidine-4-carboxylic acid?
The InChIKey is IJOKEAHGRUTNGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O3S/c1-14(4-6-15-7-5-14)13(19)16-10(12(17)18)8-20-11(16)9-2-3-9/h9-11,15H,2-8H2,1H3,(H,17,18).
What are the key properties of 2-cyclopropyl-3-(4-methylpiperidine-4-carbonyl)-1,3-thiazolidine-4-carboxylic acid?
2-cyclopropyl-3-(4-methylpiperidine-4-carbonyl)-1,3-thiazolidine-4-carboxylic acid has a molecular weight of 298.41 g/mol, XLogP of 1.14, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-3-(4-methylpiperidine-4-carbonyl)-1,3-thiazolidine-4-carboxylic acid is sourced from PubChem (CID 63790632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).