3-(3-aminopropanoyl)-1,3-thiazolidine-4-carboxylic acid

C7H12N2O3S — CID 61157082

IUPAC3-(3-aminopropanoyl)-1,3-thiazolidine-4-carboxylic acid
SMILESNCCC(=O)N1CSCC1C(=O)O
InChIInChI=1S/C7H12N2O3S/c8-2-1-6(10)9-4-13-3-5(9)7(11)12/h5H,1-4,8H2,(H,11,12)
InChIKeyCGVFJVUWDRQWGZ-UHFFFAOYSA-N
MW204.25 g/mol
LogP-0.68
Rot. Bonds3

About 3-(3-aminopropanoyl)-1,3-thiazolidine-4-carboxylic acid

3-(3-aminopropanoyl)-1,3-thiazolidine-4-carboxylic acid (PubChem CID 61157082) has the molecular formula C7H12N2O3S and a molecular weight of 204.25 g/mol. Its IUPAC name is 3-(3-aminopropanoyl)-1,3-thiazolidine-4-carboxylic acid.

Molecular Properties

Compound Name3-(3-aminopropanoyl)-1,3-thiazolidine-4-carboxylic acid
PubChem CID61157082
Molecular FormulaC7H12N2O3S
Molecular Weight204.25 g/mol
Exact Mass204.06
IUPAC Name3-(3-aminopropanoyl)-1,3-thiazolidine-4-carboxylic acid
SMILESNCCC(=O)N1CSCC1C(=O)O
InChIInChI=1S/C7H12N2O3S/c8-2-1-6(10)9-4-13-3-5(9)7(11)12/h5H,1-4,8H2,(H,11,12)
InChIKeyCGVFJVUWDRQWGZ-UHFFFAOYSA-N
XLogP-0.68
TPSA83.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.25
LogP ≤ 5-0.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(4R)-3-(6-aminohexanoyl)-1,3-thiazolidine-4-carboxylic acid
CID 61161160
3-(7-aminoheptanoyl)-1,3-thiazolidine-4-carboxylic acid
CID 61158002
(4R)-3-(2-aminoacetyl)-1,3-thiazolidine-4-carboxylic acid
CID 61161157
3-(5-amino-4-methylpentanoyl)-1,3-thiazolidine-4-carboxylic acid
CID 82011615
(4R)-3-(2-chloroacetyl)-1,3-thiazolidine-4-carboxylic acid
CID 93494384
3-(4-amino-3-methoxybutanoyl)-1,3-thiazolidine-4-carboxylic acid
CID 103155360
3-[2-[(2-aminoacetyl)amino]acetyl]-1,3-thiazolidine-4-carboxylic acid
CID 61159117
3-[3-(cyclopropylamino)propanoyl]-1,3-thiazolidine-4-carboxylic acid
CID 61158757
(4R)-3-[3-(ethylamino)propanoyl]-1,3-thiazolidine-4-carboxylic acid
CID 62837022
(4R)-3-(3-phenylsulfanylpropanoyl)-1,3-thiazolidine-4-carboxylic acid
CID 61143162
3-[3-(2-fluorophenoxy)propanoyl]-1,3-thiazolidine-4-carboxylic acid
CID 43172227
3-(2-phenoxyacetyl)-1,3-thiazolidine-4-carboxylic acid
CID 24700572

Frequently Asked Questions

What is the IUPAC name of 3-(3-aminopropanoyl)-1,3-thiazolidine-4-carboxylic acid?
The IUPAC name of 3-(3-aminopropanoyl)-1,3-thiazolidine-4-carboxylic acid (CID 61157082) is 3-(3-aminopropanoyl)-1,3-thiazolidine-4-carboxylic acid.
What is the SMILES notation for 3-(3-aminopropanoyl)-1,3-thiazolidine-4-carboxylic acid?
The canonical SMILES for 3-(3-aminopropanoyl)-1,3-thiazolidine-4-carboxylic acid is NCCC(=O)N1CSCC1C(=O)O.
What is the InChIKey of 3-(3-aminopropanoyl)-1,3-thiazolidine-4-carboxylic acid?
The InChIKey is CGVFJVUWDRQWGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N2O3S/c8-2-1-6(10)9-4-13-3-5(9)7(11)12/h5H,1-4,8H2,(H,11,12).
What are the key properties of 3-(3-aminopropanoyl)-1,3-thiazolidine-4-carboxylic acid?
3-(3-aminopropanoyl)-1,3-thiazolidine-4-carboxylic acid has a molecular weight of 204.25 g/mol, XLogP of -0.68, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-aminopropanoyl)-1,3-thiazolidine-4-carboxylic acid is sourced from PubChem (CID 61157082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).