3-(3-aminopyrrolidine-1-carbonyl)-2-propyl-1,3-thiazolidine-4-carboxylic acid

C12H21N3O3S — CID 55236110

IUPAC3-(3-aminopyrrolidine-1-carbonyl)-2-propyl-1,3-thiazolidine-4-carboxylic acid
SMILESCCCC1SCC(C(=O)O)N1C(=O)N1CCC(N)C1
InChIInChI=1S/C12H21N3O3S/c1-2-3-10-15(9(7-19-10)11(16)17)12(18)14-5-4-8(13)6-14/h8-10H,2-7,13H2,1H3,(H,16,17)
InChIKeyDKSBQFCUDNHGRA-UHFFFAOYSA-N
MW287.39 g/mol
LogP0.77
Rot. Bonds3

About 3-(3-aminopyrrolidine-1-carbonyl)-2-propyl-1,3-thiazolidine-4-carboxylic acid

3-(3-aminopyrrolidine-1-carbonyl)-2-propyl-1,3-thiazolidine-4-carboxylic acid (PubChem CID 55236110) has the molecular formula C12H21N3O3S and a molecular weight of 287.39 g/mol. Its IUPAC name is 3-(3-aminopyrrolidine-1-carbonyl)-2-propyl-1,3-thiazolidine-4-carboxylic acid.

Molecular Properties

Compound Name3-(3-aminopyrrolidine-1-carbonyl)-2-propyl-1,3-thiazolidine-4-carboxylic acid
PubChem CID55236110
Molecular FormulaC12H21N3O3S
Molecular Weight287.39 g/mol
Exact Mass287.13
IUPAC Name3-(3-aminopyrrolidine-1-carbonyl)-2-propyl-1,3-thiazolidine-4-carboxylic acid
SMILESCCCC1SCC(C(=O)O)N1C(=O)N1CCC(N)C1
InChIInChI=1S/C12H21N3O3S/c1-2-3-10-15(9(7-19-10)11(16)17)12(18)14-5-4-8(13)6-14/h8-10H,2-7,13H2,1H3,(H,16,17)
InChIKeyDKSBQFCUDNHGRA-UHFFFAOYSA-N
XLogP0.77
TPSA86.87 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.39
LogP ≤ 50.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-(4-methoxypiperidine-1-carbonyl)-2-propyl-1,3-thiazolidine-4-carboxylic acid
CID 63780001
3-(2-ethylmorpholine-4-carbonyl)-2-propyl-1,3-thiazolidine-4-carboxylic acid
CID 63780721
(2S,4S)-3-pentanoyl-2-propyl-1,3-thiazolidine-4-carboxylic acid
CID 7437958
3-(2-aminocyclopentanecarbonyl)-2-propyl-1,3-thiazolidine-4-carboxylic acid
CID 64823092
3-[(2S)-2-aminopropanoyl]-2-propyl-1,3-thiazolidine-4-carboxylic acid
CID 63790612
3-[3-(hydroxymethyl)pyrrolidine-1-carbonyl]-2-methyl-1,3-thiazolidine-4-carboxylic acid
CID 112626849
3-[cyclopropyl(ethyl)carbamoyl]-2-propyl-1,3-thiazolidine-4-carboxylic acid
CID 63781419
3-[(2S)-2-amino-3-methylbutanoyl]-2-propyl-1,3-thiazolidine-4-carboxylic acid
CID 55235516
3-(2-amino-4-carboxybutanoyl)-2-propyl-1,3-thiazolidine-4-carboxylic acid
CID 64890139
3-(3-methylmorpholine-4-carbonyl)-2-propyl-1,3-thiazolidine-4-carboxylic acid
CID 63779835
3-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine-2-carbonyl)-2-ethyl-1,3-thiazolidine-4-carboxylic acid
CID 79930755
3-(piperidine-4-carbonyl)-2-propyl-1,3-thiazolidine-4-carboxylic acid
CID 63792541

Frequently Asked Questions

What is the IUPAC name of 3-(3-aminopyrrolidine-1-carbonyl)-2-propyl-1,3-thiazolidine-4-carboxylic acid?
The IUPAC name of 3-(3-aminopyrrolidine-1-carbonyl)-2-propyl-1,3-thiazolidine-4-carboxylic acid (CID 55236110) is 3-(3-aminopyrrolidine-1-carbonyl)-2-propyl-1,3-thiazolidine-4-carboxylic acid.
What is the SMILES notation for 3-(3-aminopyrrolidine-1-carbonyl)-2-propyl-1,3-thiazolidine-4-carboxylic acid?
The canonical SMILES for 3-(3-aminopyrrolidine-1-carbonyl)-2-propyl-1,3-thiazolidine-4-carboxylic acid is CCCC1SCC(C(=O)O)N1C(=O)N1CCC(N)C1.
What is the InChIKey of 3-(3-aminopyrrolidine-1-carbonyl)-2-propyl-1,3-thiazolidine-4-carboxylic acid?
The InChIKey is DKSBQFCUDNHGRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O3S/c1-2-3-10-15(9(7-19-10)11(16)17)12(18)14-5-4-8(13)6-14/h8-10H,2-7,13H2,1H3,(H,16,17).
What are the key properties of 3-(3-aminopyrrolidine-1-carbonyl)-2-propyl-1,3-thiazolidine-4-carboxylic acid?
3-(3-aminopyrrolidine-1-carbonyl)-2-propyl-1,3-thiazolidine-4-carboxylic acid has a molecular weight of 287.39 g/mol, XLogP of 0.77, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-aminopyrrolidine-1-carbonyl)-2-propyl-1,3-thiazolidine-4-carboxylic acid is sourced from PubChem (CID 55236110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).