3-[(2S)-2-aminopropanoyl]-2-propyl-1,3-thiazolidine-4-carboxylic acid

C10H18N2O3S — CID 63790612

IUPAC3-[(2S)-2-aminopropanoyl]-2-propyl-1,3-thiazolidine-4-carboxylic acid
SMILESCCCC1SCC(C(=O)O)N1C(=O)[C@H](C)N
InChIInChI=1S/C10H18N2O3S/c1-3-4-8-12(9(13)6(2)11)7(5-16-8)10(14)15/h6-8H,3-5,11H2,1-2H3,(H,14,15)/t6-,7?,8?/m0/s1
InChIKeyQRPHHIUXILUDSF-KKMMWDRVSA-N
MW246.33 g/mol
LogP0.49
Rot. Bonds4

About 3-[(2S)-2-aminopropanoyl]-2-propyl-1,3-thiazolidine-4-carboxylic acid

3-[(2S)-2-aminopropanoyl]-2-propyl-1,3-thiazolidine-4-carboxylic acid (PubChem CID 63790612) has the molecular formula C10H18N2O3S and a molecular weight of 246.33 g/mol. Its IUPAC name is 3-[(2S)-2-aminopropanoyl]-2-propyl-1,3-thiazolidine-4-carboxylic acid.

Molecular Properties

Compound Name3-[(2S)-2-aminopropanoyl]-2-propyl-1,3-thiazolidine-4-carboxylic acid
PubChem CID63790612
Molecular FormulaC10H18N2O3S
Molecular Weight246.33 g/mol
Exact Mass246.10
IUPAC Name3-[(2S)-2-aminopropanoyl]-2-propyl-1,3-thiazolidine-4-carboxylic acid
SMILESCCCC1SCC(C(=O)O)N1C(=O)[C@H](C)N
InChIInChI=1S/C10H18N2O3S/c1-3-4-8-12(9(13)6(2)11)7(5-16-8)10(14)15/h6-8H,3-5,11H2,1-2H3,(H,14,15)/t6-,7?,8?/m0/s1
InChIKeyQRPHHIUXILUDSF-KKMMWDRVSA-N
XLogP0.49
TPSA83.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.33
LogP ≤ 50.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

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-(5-amino-2-methylpentanoyl)-2-propyl-1,3-thiazolidine-4-carboxylic acid
CID 104685106
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
(2S,4S)-3-pentanoyl-2-propyl-1,3-thiazolidine-4-carboxylic acid
CID 7437958
3-[cyclopropyl(ethyl)carbamoyl]-2-propyl-1,3-thiazolidine-4-carboxylic acid
CID 63781419
3-(piperidine-4-carbonyl)-2-propyl-1,3-thiazolidine-4-carboxylic acid
CID 63792541
3-(4-amino-3-methoxybutanoyl)-2-propyl-1,3-thiazolidine-4-carboxylic acid
CID 103155911
3-[2-hydroxyethyl(propyl)carbamoyl]-2-propyl-1,3-thiazolidine-4-carboxylic acid
CID 63780042
3-benzoyl-2-propyl-1,3-thiazolidine-4-carboxylic acid
CID 42744256
3-[2-cyanopropyl(ethyl)carbamoyl]-2-propyl-1,3-thiazolidine-4-carboxylic acid
CID 63780785

Frequently Asked Questions

What is the IUPAC name of 3-[(2S)-2-aminopropanoyl]-2-propyl-1,3-thiazolidine-4-carboxylic acid?
The IUPAC name of 3-[(2S)-2-aminopropanoyl]-2-propyl-1,3-thiazolidine-4-carboxylic acid (CID 63790612) is 3-[(2S)-2-aminopropanoyl]-2-propyl-1,3-thiazolidine-4-carboxylic acid.
What is the SMILES notation for 3-[(2S)-2-aminopropanoyl]-2-propyl-1,3-thiazolidine-4-carboxylic acid?
The canonical SMILES for 3-[(2S)-2-aminopropanoyl]-2-propyl-1,3-thiazolidine-4-carboxylic acid is CCCC1SCC(C(=O)O)N1C(=O)[C@H](C)N.
What is the InChIKey of 3-[(2S)-2-aminopropanoyl]-2-propyl-1,3-thiazolidine-4-carboxylic acid?
The InChIKey is QRPHHIUXILUDSF-KKMMWDRVSA-N. The full InChI is InChI=1S/C10H18N2O3S/c1-3-4-8-12(9(13)6(2)11)7(5-16-8)10(14)15/h6-8H,3-5,11H2,1-2H3,(H,14,15)/t6-,7?,8?/m0/s1.
What are the key properties of 3-[(2S)-2-aminopropanoyl]-2-propyl-1,3-thiazolidine-4-carboxylic acid?
3-[(2S)-2-aminopropanoyl]-2-propyl-1,3-thiazolidine-4-carboxylic acid has a molecular weight of 246.33 g/mol, XLogP of 0.49, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2S)-2-aminopropanoyl]-2-propyl-1,3-thiazolidine-4-carboxylic acid is sourced from PubChem (CID 63790612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).