(4R)-3-[cyclobutylmethyl(ethyl)carbamoyl]-1,3-thiazolidine-4-carboxylic acid

C12H20N2O3S — CID 107400171

IUPAC(4R)-3-[cyclobutylmethyl(ethyl)carbamoyl]-1,3-thiazolidine-4-carboxylic acid
SMILESCCN(CC1CCC1)C(=O)N1CSC[C@H]1C(=O)O
InChIInChI=1S/C12H20N2O3S/c1-2-13(6-9-4-3-5-9)12(17)14-8-18-7-10(14)11(15)16/h9-10H,2-8H2,1H3,(H,15,16)/t10-/m0/s1
InChIKeyVWQJDVOAXZJQCY-JTQLQIEISA-N
MW272.37 g/mol
LogP1.69
Rot. Bonds4

About (4R)-3-[cyclobutylmethyl(ethyl)carbamoyl]-1,3-thiazolidine-4-carboxylic acid

(4R)-3-[cyclobutylmethyl(ethyl)carbamoyl]-1,3-thiazolidine-4-carboxylic acid (PubChem CID 107400171) has the molecular formula C12H20N2O3S and a molecular weight of 272.37 g/mol. Its IUPAC name is (4R)-3-[cyclobutylmethyl(ethyl)carbamoyl]-1,3-thiazolidine-4-carboxylic acid.

Molecular Properties

Compound Name(4R)-3-[cyclobutylmethyl(ethyl)carbamoyl]-1,3-thiazolidine-4-carboxylic acid
PubChem CID107400171
Molecular FormulaC12H20N2O3S
Molecular Weight272.37 g/mol
Exact Mass272.12
IUPAC Name(4R)-3-[cyclobutylmethyl(ethyl)carbamoyl]-1,3-thiazolidine-4-carboxylic acid
SMILESCCN(CC1CCC1)C(=O)N1CSC[C@H]1C(=O)O
InChIInChI=1S/C12H20N2O3S/c1-2-13(6-9-4-3-5-9)12(17)14-8-18-7-10(14)11(15)16/h9-10H,2-8H2,1H3,(H,15,16)/t10-/m0/s1
InChIKeyVWQJDVOAXZJQCY-JTQLQIEISA-N
XLogP1.69
TPSA60.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.37
LogP ≤ 51.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(4R)-3-[cyclohexyl(ethyl)carbamoyl]-1,3-thiazolidine-4-carboxylic acid
CID 61189978
3-[ethyl(2-ethylbutyl)carbamoyl]-1,3-thiazolidine-4-carboxylic acid
CID 61437582
(4R)-3-[cyclobutyl(methyl)carbamoyl]-1,3-thiazolidine-4-carboxylic acid
CID 104873601
3-[(2-amino-2-oxoethyl)-butylcarbamoyl]-1,3-thiazolidine-4-carboxylic acid
CID 55003449
(4R)-3-[methyl(2-methylbutyl)carbamoyl]-1,3-thiazolidine-4-carboxylic acid
CID 61198921
3-[ethyl(furan-2-ylmethyl)carbamoyl]-1,3-thiazolidine-4-carboxylic acid
CID 61420877
3-(cyclobutylmethylcarbamoyl)-1,3-thiazolidine-4-carboxylic acid
CID 61197228
3-[cyclopropylmethyl(ethyl)carbamoyl]-2-methyl-1,3-thiazolidine-4-carboxylic acid
CID 63956666
N-(cyclobutylmethyl)-N-ethylpyrrolidine-1-carboxamide
CID 107397947
(4R)-3-[(1-ethylpyrrolidin-2-yl)methyl-methylcarbamoyl]-1,3-thiazolidine-4-carboxylic acid
CID 79315750
(4R)-3-[cyclopropyl(2-methylpropyl)carbamoyl]-1,3-thiazolidine-4-carboxylic acid
CID 55001025
N-(cyclobutylmethyl)-N-ethylazepane-1-carboxamide
CID 107397929

Frequently Asked Questions

What is the IUPAC name of (4R)-3-[cyclobutylmethyl(ethyl)carbamoyl]-1,3-thiazolidine-4-carboxylic acid?
The IUPAC name of (4R)-3-[cyclobutylmethyl(ethyl)carbamoyl]-1,3-thiazolidine-4-carboxylic acid (CID 107400171) is (4R)-3-[cyclobutylmethyl(ethyl)carbamoyl]-1,3-thiazolidine-4-carboxylic acid.
What is the SMILES notation for (4R)-3-[cyclobutylmethyl(ethyl)carbamoyl]-1,3-thiazolidine-4-carboxylic acid?
The canonical SMILES for (4R)-3-[cyclobutylmethyl(ethyl)carbamoyl]-1,3-thiazolidine-4-carboxylic acid is CCN(CC1CCC1)C(=O)N1CSC[C@H]1C(=O)O.
What is the InChIKey of (4R)-3-[cyclobutylmethyl(ethyl)carbamoyl]-1,3-thiazolidine-4-carboxylic acid?
The InChIKey is VWQJDVOAXZJQCY-JTQLQIEISA-N. The full InChI is InChI=1S/C12H20N2O3S/c1-2-13(6-9-4-3-5-9)12(17)14-8-18-7-10(14)11(15)16/h9-10H,2-8H2,1H3,(H,15,16)/t10-/m0/s1.
What are the key properties of (4R)-3-[cyclobutylmethyl(ethyl)carbamoyl]-1,3-thiazolidine-4-carboxylic acid?
(4R)-3-[cyclobutylmethyl(ethyl)carbamoyl]-1,3-thiazolidine-4-carboxylic acid has a molecular weight of 272.37 g/mol, XLogP of 1.69, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-3-[cyclobutylmethyl(ethyl)carbamoyl]-1,3-thiazolidine-4-carboxylic acid is sourced from PubChem (CID 107400171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).