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

C9H14N2O3S — CID 81172472

IUPAC3-(1-aminocyclobutanecarbonyl)-1,3-thiazolidine-4-carboxylic acid
SMILESNC1(C(=O)N2CSCC2C(=O)O)CCC1
InChIInChI=1S/C9H14N2O3S/c10-9(2-1-3-9)8(14)11-5-15-4-6(11)7(12)13/h6H,1-5,10H2,(H,12,13)
InChIKeyFVYCJBNHSDPCFI-UHFFFAOYSA-N
MW230.29 g/mol
LogP-0.15
Rot. Bonds2

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

3-(1-aminocyclobutanecarbonyl)-1,3-thiazolidine-4-carboxylic acid (PubChem CID 81172472) has the molecular formula C9H14N2O3S and a molecular weight of 230.29 g/mol. Its IUPAC name is 3-(1-aminocyclobutanecarbonyl)-1,3-thiazolidine-4-carboxylic acid.

Molecular Properties

Compound Name3-(1-aminocyclobutanecarbonyl)-1,3-thiazolidine-4-carboxylic acid
PubChem CID81172472
Molecular FormulaC9H14N2O3S
Molecular Weight230.29 g/mol
Exact Mass230.07
IUPAC Name3-(1-aminocyclobutanecarbonyl)-1,3-thiazolidine-4-carboxylic acid
SMILESNC1(C(=O)N2CSCC2C(=O)O)CCC1
InChIInChI=1S/C9H14N2O3S/c10-9(2-1-3-9)8(14)11-5-15-4-6(11)7(12)13/h6H,1-5,10H2,(H,12,13)
InChIKeyFVYCJBNHSDPCFI-UHFFFAOYSA-N
XLogP-0.15
TPSA83.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.29
LogP ≤ 5-0.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-(1-aminocyclopropanecarbonyl)-1,3-thiazolidine-4-carboxylic acid
CID 65466419
(4R)-3-(4-aminooxane-4-carbonyl)-1,3-thiazolidine-4-carboxylic acid
CID 113280688
4-(1-aminocyclobutanecarbonyl)thiomorpholine-3-carboxylic acid
CID 82904599
(4R)-3-(2-aminoacetyl)-1,3-thiazolidine-4-carboxylic acid
CID 61161157
3-(3-aminopropanoyl)-1,3-thiazolidine-4-carboxylic acid
CID 61157082
(4R)-3-[1-(aminomethyl)-4-methylcyclohexanecarbonyl]-1,3-thiazolidine-4-carboxylic acid
CID 115441864
(4R)-3-(2-chloroacetyl)-1,3-thiazolidine-4-carboxylic acid
CID 93494384
3-(2-ethylpyrrolidine-2-carbonyl)-1,3-thiazolidine-4-carboxylic acid
CID 83071822
3-(1-aminocyclohexanecarbonyl)-2-methyl-1,3-thiazolidine-4-carboxylic acid
CID 63791466
(4R)-3-[1-(4-bromophenyl)cyclopropanecarbonyl]-1,3-thiazolidine-4-carboxylic acid
CID 61144833
3-(2,2-dimethylcyclopentanecarbonyl)-1,3-thiazolidine-4-carboxylic acid
CID 107175135
(4R)-3-(azepane-1-carbonyl)-1,3-thiazolidine-4-carboxylic acid
CID 61188708

Frequently Asked Questions

What is the IUPAC name of 3-(1-aminocyclobutanecarbonyl)-1,3-thiazolidine-4-carboxylic acid?
The IUPAC name of 3-(1-aminocyclobutanecarbonyl)-1,3-thiazolidine-4-carboxylic acid (CID 81172472) is 3-(1-aminocyclobutanecarbonyl)-1,3-thiazolidine-4-carboxylic acid.
What is the SMILES notation for 3-(1-aminocyclobutanecarbonyl)-1,3-thiazolidine-4-carboxylic acid?
The canonical SMILES for 3-(1-aminocyclobutanecarbonyl)-1,3-thiazolidine-4-carboxylic acid is NC1(C(=O)N2CSCC2C(=O)O)CCC1.
What is the InChIKey of 3-(1-aminocyclobutanecarbonyl)-1,3-thiazolidine-4-carboxylic acid?
The InChIKey is FVYCJBNHSDPCFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2O3S/c10-9(2-1-3-9)8(14)11-5-15-4-6(11)7(12)13/h6H,1-5,10H2,(H,12,13).
What are the key properties of 3-(1-aminocyclobutanecarbonyl)-1,3-thiazolidine-4-carboxylic acid?
3-(1-aminocyclobutanecarbonyl)-1,3-thiazolidine-4-carboxylic acid has a molecular weight of 230.29 g/mol, XLogP of -0.15, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-aminocyclobutanecarbonyl)-1,3-thiazolidine-4-carboxylic acid is sourced from PubChem (CID 81172472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).