3-(2-amino-4-carboxybutanoyl)-2-propyl-1,3-thiazolidine-4-carboxylic acid

C12H20N2O5S — CID 64890139

IUPAC3-(2-amino-4-carboxybutanoyl)-2-propyl-1,3-thiazolidine-4-carboxylic acid
SMILESCCCC1SCC(C(=O)O)N1C(=O)C(N)CCC(=O)O
InChIInChI=1S/C12H20N2O5S/c1-2-3-9-14(8(6-20-9)12(18)19)11(17)7(13)4-5-10(15)16/h7-9H,2-6,13H2,1H3,(H,15,16)(H,18,19)
InChIKeyJQUBQJIADMDKNL-UHFFFAOYSA-N
MW304.37 g/mol
LogP0.33
Rot. Bonds7

About 3-(2-amino-4-carboxybutanoyl)-2-propyl-1,3-thiazolidine-4-carboxylic acid

3-(2-amino-4-carboxybutanoyl)-2-propyl-1,3-thiazolidine-4-carboxylic acid (PubChem CID 64890139) has the molecular formula C12H20N2O5S and a molecular weight of 304.37 g/mol. Its IUPAC name is 3-(2-amino-4-carboxybutanoyl)-2-propyl-1,3-thiazolidine-4-carboxylic acid.

Molecular Properties

Compound Name3-(2-amino-4-carboxybutanoyl)-2-propyl-1,3-thiazolidine-4-carboxylic acid
PubChem CID64890139
Molecular FormulaC12H20N2O5S
Molecular Weight304.37 g/mol
Exact Mass304.11
IUPAC Name3-(2-amino-4-carboxybutanoyl)-2-propyl-1,3-thiazolidine-4-carboxylic acid
SMILESCCCC1SCC(C(=O)O)N1C(=O)C(N)CCC(=O)O
InChIInChI=1S/C12H20N2O5S/c1-2-3-9-14(8(6-20-9)12(18)19)11(17)7(13)4-5-10(15)16/h7-9H,2-6,13H2,1H3,(H,15,16)(H,18,19)
InChIKeyJQUBQJIADMDKNL-UHFFFAOYSA-N
XLogP0.33
TPSA120.93 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.37
LogP ≤ 50.33
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

3-[(2S)-2-aminopropanoyl]-2-propyl-1,3-thiazolidine-4-carboxylic acid
CID 63790612
3-[(2S)-2-amino-3-methylbutanoyl]-2-propyl-1,3-thiazolidine-4-carboxylic acid
CID 55235516
3-(5-amino-2-methylpentanoyl)-2-propyl-1,3-thiazolidine-4-carboxylic acid
CID 104685106
(2S,4S)-3-pentanoyl-2-propyl-1,3-thiazolidine-4-carboxylic acid
CID 7437958
3-[methyl(1-methylsulfanylpropan-2-yl)carbamoyl]-2-propyl-1,3-thiazolidine-4-carboxylic acid
CID 115986645
3-[(2R)-2-amino-3-methylbutanoyl]-2-ethyl-1,3-thiazolidine-4-carboxylic acid
CID 79013021
3-(4-amino-3-methoxybutanoyl)-2-propyl-1,3-thiazolidine-4-carboxylic acid
CID 103155911
3-(3-aminopyrrolidine-1-carbonyl)-2-propyl-1,3-thiazolidine-4-carboxylic acid
CID 55236110
3-(6-amino-4,4-dimethylhexanoyl)-2-propyl-1,3-thiazolidine-4-carboxylic acid
CID 65291778
3-phenylmethoxycarbonyl-2-propyl-1,3-thiazolidine-4-carboxylic acid
CID 63792063
3-[cyclopropyl(ethyl)carbamoyl]-2-propyl-1,3-thiazolidine-4-carboxylic acid
CID 63781419
3-(2-aminocyclopentanecarbonyl)-2-propyl-1,3-thiazolidine-4-carboxylic acid
CID 64823092

Frequently Asked Questions

What is the IUPAC name of 3-(2-amino-4-carboxybutanoyl)-2-propyl-1,3-thiazolidine-4-carboxylic acid?
The IUPAC name of 3-(2-amino-4-carboxybutanoyl)-2-propyl-1,3-thiazolidine-4-carboxylic acid (CID 64890139) is 3-(2-amino-4-carboxybutanoyl)-2-propyl-1,3-thiazolidine-4-carboxylic acid.
What is the SMILES notation for 3-(2-amino-4-carboxybutanoyl)-2-propyl-1,3-thiazolidine-4-carboxylic acid?
The canonical SMILES for 3-(2-amino-4-carboxybutanoyl)-2-propyl-1,3-thiazolidine-4-carboxylic acid is CCCC1SCC(C(=O)O)N1C(=O)C(N)CCC(=O)O.
What is the InChIKey of 3-(2-amino-4-carboxybutanoyl)-2-propyl-1,3-thiazolidine-4-carboxylic acid?
The InChIKey is JQUBQJIADMDKNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O5S/c1-2-3-9-14(8(6-20-9)12(18)19)11(17)7(13)4-5-10(15)16/h7-9H,2-6,13H2,1H3,(H,15,16)(H,18,19).
What are the key properties of 3-(2-amino-4-carboxybutanoyl)-2-propyl-1,3-thiazolidine-4-carboxylic acid?
3-(2-amino-4-carboxybutanoyl)-2-propyl-1,3-thiazolidine-4-carboxylic acid has a molecular weight of 304.37 g/mol, XLogP of 0.33, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-amino-4-carboxybutanoyl)-2-propyl-1,3-thiazolidine-4-carboxylic acid is sourced from PubChem (CID 64890139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).