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

C10H16N2O3S — CID 61197228

IUPAC3-(cyclobutylmethylcarbamoyl)-1,3-thiazolidine-4-carboxylic acid
SMILESO=C(O)C1CSCN1C(=O)NCC1CCC1
InChIInChI=1S/C10H16N2O3S/c13-9(14)8-5-16-6-12(8)10(15)11-4-7-2-1-3-7/h7-8H,1-6H2,(H,11,15)(H,13,14)
InChIKeyVJMHFTNXGONAEZ-UHFFFAOYSA-N
MW244.32 g/mol
LogP0.96
Rot. Bonds3

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

3-(cyclobutylmethylcarbamoyl)-1,3-thiazolidine-4-carboxylic acid (PubChem CID 61197228) has the molecular formula C10H16N2O3S and a molecular weight of 244.32 g/mol. Its IUPAC name is 3-(cyclobutylmethylcarbamoyl)-1,3-thiazolidine-4-carboxylic acid.

Molecular Properties

Compound Name3-(cyclobutylmethylcarbamoyl)-1,3-thiazolidine-4-carboxylic acid
PubChem CID61197228
Molecular FormulaC10H16N2O3S
Molecular Weight244.32 g/mol
Exact Mass244.09
IUPAC Name3-(cyclobutylmethylcarbamoyl)-1,3-thiazolidine-4-carboxylic acid
SMILESO=C(O)C1CSCN1C(=O)NCC1CCC1
InChIInChI=1S/C10H16N2O3S/c13-9(14)8-5-16-6-12(8)10(15)11-4-7-2-1-3-7/h7-8H,1-6H2,(H,11,15)(H,13,14)
InChIKeyVJMHFTNXGONAEZ-UHFFFAOYSA-N
XLogP0.96
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.32
LogP ≤ 50.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(4R)-3-(2-cyclopentylethylcarbamoyl)-1,3-thiazolidine-4-carboxylic acid
CID 61205759
(4R)-3-[(2-methylcyclohexyl)methylcarbamoyl]-1,3-thiazolidine-4-carboxylic acid
CID 55012035
(4R)-3-(oxan-2-ylmethylcarbamoyl)-1,3-thiazolidine-4-carboxylic acid
CID 55013512
3-(cyclopentylcarbamoyl)-1,3-thiazolidine-4-carboxylic acid
CID 61188658
(4R)-3-(cyclopropylcarbamoyl)-1,3-thiazolidine-4-carboxylic acid
CID 61187556
(2S)-1-(thian-4-ylmethylcarbamoyl)pyrrolidine-2-carboxylic acid
CID 113363940
(4R)-3-[2-[methyl(propan-2-yl)amino]ethylcarbamoyl]-1,3-thiazolidine-4-carboxylic acid
CID 62635329
(2S,4S)-1-(cyclopentylmethylcarbamoyl)-4-hydroxypyrrolidine-2-carboxylic acid
CID 64713739
4-[(1-methylpyrrolidin-3-yl)methylcarbamoyl]thiomorpholine-3-carboxylic acid
CID 82904716
3-[[2-(2-methoxyethylamino)-2-oxoethyl]carbamoyl]-1,3-thiazolidine-4-carboxylic acid
CID 103994602
1-(thiolan-3-ylmethylcarbamoyl)pyrrolidine-2-carboxylic acid
CID 107297455
1-(cyclobutylmethylcarbamoyl)-4-methoxypyrrolidine-2-carboxylic acid
CID 61197043

Frequently Asked Questions

What is the IUPAC name of 3-(cyclobutylmethylcarbamoyl)-1,3-thiazolidine-4-carboxylic acid?
The IUPAC name of 3-(cyclobutylmethylcarbamoyl)-1,3-thiazolidine-4-carboxylic acid (CID 61197228) is 3-(cyclobutylmethylcarbamoyl)-1,3-thiazolidine-4-carboxylic acid.
What is the SMILES notation for 3-(cyclobutylmethylcarbamoyl)-1,3-thiazolidine-4-carboxylic acid?
The canonical SMILES for 3-(cyclobutylmethylcarbamoyl)-1,3-thiazolidine-4-carboxylic acid is O=C(O)C1CSCN1C(=O)NCC1CCC1.
What is the InChIKey of 3-(cyclobutylmethylcarbamoyl)-1,3-thiazolidine-4-carboxylic acid?
The InChIKey is VJMHFTNXGONAEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O3S/c13-9(14)8-5-16-6-12(8)10(15)11-4-7-2-1-3-7/h7-8H,1-6H2,(H,11,15)(H,13,14).
What are the key properties of 3-(cyclobutylmethylcarbamoyl)-1,3-thiazolidine-4-carboxylic acid?
3-(cyclobutylmethylcarbamoyl)-1,3-thiazolidine-4-carboxylic acid has a molecular weight of 244.32 g/mol, XLogP of 0.96, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(cyclobutylmethylcarbamoyl)-1,3-thiazolidine-4-carboxylic acid is sourced from PubChem (CID 61197228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).