3-[2-(1-aminocyclobutyl)acetyl]-2-cyclopropyl-1,3-thiazolidine-4-carboxylic acid

C13H20N2O3S — CID 79853620

IUPAC3-[2-(1-aminocyclobutyl)acetyl]-2-cyclopropyl-1,3-thiazolidine-4-carboxylic acid
SMILESNC1(CC(=O)N2C(C(=O)O)CSC2C2CC2)CCC1
InChIInChI=1S/C13H20N2O3S/c14-13(4-1-5-13)6-10(16)15-9(12(17)18)7-19-11(15)8-2-3-8/h8-9,11H,1-7,14H2,(H,17,18)
InChIKeyGHWKUXLZXDESNO-UHFFFAOYSA-N
MW284.38 g/mol
LogP1.02
Rot. Bonds4

About 3-[2-(1-aminocyclobutyl)acetyl]-2-cyclopropyl-1,3-thiazolidine-4-carboxylic acid

3-[2-(1-aminocyclobutyl)acetyl]-2-cyclopropyl-1,3-thiazolidine-4-carboxylic acid (PubChem CID 79853620) has the molecular formula C13H20N2O3S and a molecular weight of 284.38 g/mol. Its IUPAC name is 3-[2-(1-aminocyclobutyl)acetyl]-2-cyclopropyl-1,3-thiazolidine-4-carboxylic acid.

Molecular Properties

Compound Name3-[2-(1-aminocyclobutyl)acetyl]-2-cyclopropyl-1,3-thiazolidine-4-carboxylic acid
PubChem CID79853620
Molecular FormulaC13H20N2O3S
Molecular Weight284.38 g/mol
Exact Mass284.12
IUPAC Name3-[2-(1-aminocyclobutyl)acetyl]-2-cyclopropyl-1,3-thiazolidine-4-carboxylic acid
SMILESNC1(CC(=O)N2C(C(=O)O)CSC2C2CC2)CCC1
InChIInChI=1S/C13H20N2O3S/c14-13(4-1-5-13)6-10(16)15-9(12(17)18)7-19-11(15)8-2-3-8/h8-9,11H,1-7,14H2,(H,17,18)
InChIKeyGHWKUXLZXDESNO-UHFFFAOYSA-N
XLogP1.02
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 ≤ 51.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-(2-cyclohexylacetyl)-2-cyclopropyl-1,3-thiazolidine-4-carboxylic acid
CID 63782130
3-[1-(aminomethyl)cyclobutanecarbonyl]-2-cyclopropyl-1,3-thiazolidine-4-carboxylic acid
CID 115448562
3-[2-(1-aminocyclopentyl)acetyl]-2-propan-2-yl-1,3-thiazolidine-4-carboxylic acid
CID 64677874
2-cyclopropyl-3-(2-methylpiperidine-2-carbonyl)-1,3-thiazolidine-4-carboxylic acid
CID 104596836
2-cyclopropyl-3-[2-(prop-2-enylamino)acetyl]-1,3-thiazolidine-4-carboxylic acid
CID 79279881
2-cyclopropyl-3-pent-4-enoyl-1,3-thiazolidine-4-carboxylic acid
CID 55235910
2-cyclopropyl-3-(2-propan-2-yloxyacetyl)-1,3-thiazolidine-4-carboxylic acid
CID 112602179
2-cyclopropyl-3-(2-ethylpyrrolidine-2-carbonyl)-1,3-thiazolidine-4-carboxylic acid
CID 83071546
2-cyclopropyl-3-(ethylcarbamoyl)-1,3-thiazolidine-4-carboxylic acid
CID 63792239
2-(1-aminocyclobutyl)-1-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)ethanone
CID 79854491
(2R)-1-[2-(1-aminocyclobutyl)acetyl]piperidine-2-carboxylic acid
CID 79854851
2-cyclopropyl-3-(2-methylbutanoyl)-1,3-thiazolidine-4-carboxylic acid
CID 63780355

Frequently Asked Questions

What is the IUPAC name of 3-[2-(1-aminocyclobutyl)acetyl]-2-cyclopropyl-1,3-thiazolidine-4-carboxylic acid?
The IUPAC name of 3-[2-(1-aminocyclobutyl)acetyl]-2-cyclopropyl-1,3-thiazolidine-4-carboxylic acid (CID 79853620) is 3-[2-(1-aminocyclobutyl)acetyl]-2-cyclopropyl-1,3-thiazolidine-4-carboxylic acid.
What is the SMILES notation for 3-[2-(1-aminocyclobutyl)acetyl]-2-cyclopropyl-1,3-thiazolidine-4-carboxylic acid?
The canonical SMILES for 3-[2-(1-aminocyclobutyl)acetyl]-2-cyclopropyl-1,3-thiazolidine-4-carboxylic acid is NC1(CC(=O)N2C(C(=O)O)CSC2C2CC2)CCC1.
What is the InChIKey of 3-[2-(1-aminocyclobutyl)acetyl]-2-cyclopropyl-1,3-thiazolidine-4-carboxylic acid?
The InChIKey is GHWKUXLZXDESNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O3S/c14-13(4-1-5-13)6-10(16)15-9(12(17)18)7-19-11(15)8-2-3-8/h8-9,11H,1-7,14H2,(H,17,18).
What are the key properties of 3-[2-(1-aminocyclobutyl)acetyl]-2-cyclopropyl-1,3-thiazolidine-4-carboxylic acid?
3-[2-(1-aminocyclobutyl)acetyl]-2-cyclopropyl-1,3-thiazolidine-4-carboxylic acid has a molecular weight of 284.38 g/mol, XLogP of 1.02, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(1-aminocyclobutyl)acetyl]-2-cyclopropyl-1,3-thiazolidine-4-carboxylic acid is sourced from PubChem (CID 79853620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).