3-[1-(aminomethyl)cyclobutanecarbonyl]-2-cyclopropyl-1,3-thiazolidine-4-carboxylic acid

C13H20N2O3S — CID 115448562

IUPAC3-[1-(aminomethyl)cyclobutanecarbonyl]-2-cyclopropyl-1,3-thiazolidine-4-carboxylic acid
SMILESNCC1(C(=O)N2C(C(=O)O)CSC2C2CC2)CCC1
InChIInChI=1S/C13H20N2O3S/c14-7-13(4-1-5-13)12(18)15-9(11(16)17)6-19-10(15)8-2-3-8/h8-10H,1-7,14H2,(H,16,17)
InChIKeyUOYNFKPIMDWZBO-UHFFFAOYSA-N
MW284.38 g/mol
LogP0.88
Rot. Bonds4

About 3-[1-(aminomethyl)cyclobutanecarbonyl]-2-cyclopropyl-1,3-thiazolidine-4-carboxylic acid

3-[1-(aminomethyl)cyclobutanecarbonyl]-2-cyclopropyl-1,3-thiazolidine-4-carboxylic acid (PubChem CID 115448562) has the molecular formula C13H20N2O3S and a molecular weight of 284.38 g/mol. Its IUPAC name is 3-[1-(aminomethyl)cyclobutanecarbonyl]-2-cyclopropyl-1,3-thiazolidine-4-carboxylic acid.

Molecular Properties

Compound Name3-[1-(aminomethyl)cyclobutanecarbonyl]-2-cyclopropyl-1,3-thiazolidine-4-carboxylic acid
PubChem CID115448562
Molecular FormulaC13H20N2O3S
Molecular Weight284.38 g/mol
Exact Mass284.12
IUPAC Name3-[1-(aminomethyl)cyclobutanecarbonyl]-2-cyclopropyl-1,3-thiazolidine-4-carboxylic acid
SMILESNCC1(C(=O)N2C(C(=O)O)CSC2C2CC2)CCC1
InChIInChI=1S/C13H20N2O3S/c14-7-13(4-1-5-13)12(18)15-9(11(16)17)6-19-10(15)8-2-3-8/h8-10H,1-7,14H2,(H,16,17)
InChIKeyUOYNFKPIMDWZBO-UHFFFAOYSA-N
XLogP0.88
TPSA83.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.38
LogP ≤ 50.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[1-(aminomethyl)cyclobutanecarbonyl]-2-cyclopropyl-1,3-thiazolidine-4-carboxylic acid?
The IUPAC name of 3-[1-(aminomethyl)cyclobutanecarbonyl]-2-cyclopropyl-1,3-thiazolidine-4-carboxylic acid (CID 115448562) is 3-[1-(aminomethyl)cyclobutanecarbonyl]-2-cyclopropyl-1,3-thiazolidine-4-carboxylic acid.
What is the SMILES notation for 3-[1-(aminomethyl)cyclobutanecarbonyl]-2-cyclopropyl-1,3-thiazolidine-4-carboxylic acid?
The canonical SMILES for 3-[1-(aminomethyl)cyclobutanecarbonyl]-2-cyclopropyl-1,3-thiazolidine-4-carboxylic acid is NCC1(C(=O)N2C(C(=O)O)CSC2C2CC2)CCC1.
What is the InChIKey of 3-[1-(aminomethyl)cyclobutanecarbonyl]-2-cyclopropyl-1,3-thiazolidine-4-carboxylic acid?
The InChIKey is UOYNFKPIMDWZBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O3S/c14-7-13(4-1-5-13)12(18)15-9(11(16)17)6-19-10(15)8-2-3-8/h8-10H,1-7,14H2,(H,16,17).
What are the key properties of 3-[1-(aminomethyl)cyclobutanecarbonyl]-2-cyclopropyl-1,3-thiazolidine-4-carboxylic acid?
3-[1-(aminomethyl)cyclobutanecarbonyl]-2-cyclopropyl-1,3-thiazolidine-4-carboxylic acid has a molecular weight of 284.38 g/mol, XLogP of 0.88, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(aminomethyl)cyclobutanecarbonyl]-2-cyclopropyl-1,3-thiazolidine-4-carboxylic acid is sourced from PubChem (CID 115448562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).