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

C13H22N2O3S — CID 61189978

IUPAC(4R)-3-[cyclohexyl(ethyl)carbamoyl]-1,3-thiazolidine-4-carboxylic acid
SMILESCCN(C(=O)N1CSC[C@H]1C(=O)O)C1CCCCC1
InChIInChI=1S/C13H22N2O3S/c1-2-14(10-6-4-3-5-7-10)13(18)15-9-19-8-11(15)12(16)17/h10-11H,2-9H2,1H3,(H,16,17)/t11-/m0/s1
InChIKeyWIPUPDBJSCPOOM-NSHDSACASA-N
MW286.40 g/mol
LogP2.22
Rot. Bonds3

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

(4R)-3-[cyclohexyl(ethyl)carbamoyl]-1,3-thiazolidine-4-carboxylic acid (PubChem CID 61189978) has the molecular formula C13H22N2O3S and a molecular weight of 286.40 g/mol. Its IUPAC name is (4R)-3-[cyclohexyl(ethyl)carbamoyl]-1,3-thiazolidine-4-carboxylic acid.

Molecular Properties

Compound Name(4R)-3-[cyclohexyl(ethyl)carbamoyl]-1,3-thiazolidine-4-carboxylic acid
PubChem CID61189978
Molecular FormulaC13H22N2O3S
Molecular Weight286.40 g/mol
Exact Mass286.14
IUPAC Name(4R)-3-[cyclohexyl(ethyl)carbamoyl]-1,3-thiazolidine-4-carboxylic acid
SMILESCCN(C(=O)N1CSC[C@H]1C(=O)O)C1CCCCC1
InChIInChI=1S/C13H22N2O3S/c1-2-14(10-6-4-3-5-7-10)13(18)15-9-19-8-11(15)12(16)17/h10-11H,2-9H2,1H3,(H,16,17)/t11-/m0/s1
InChIKeyWIPUPDBJSCPOOM-NSHDSACASA-N
XLogP2.22
TPSA60.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.40
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(4R)-3-[cyclobutyl(methyl)carbamoyl]-1,3-thiazolidine-4-carboxylic acid
CID 104873601
(4R)-3-[cyclopropyl(2-methylpropyl)carbamoyl]-1,3-thiazolidine-4-carboxylic acid
CID 55001025
(4R)-3-[cyclobutylmethyl(ethyl)carbamoyl]-1,3-thiazolidine-4-carboxylic acid
CID 107400171
(2S,4R)-1-[cyclohexyl(ethyl)carbamoyl]-4-hydroxypyrrolidine-2-carboxylic acid
CID 63841659
1-[cyclopentyl(ethyl)carbamoyl]-4-hydroxypyrrolidine-2-carboxylic acid
CID 61209949
4-[2-[cyclohexyl(ethyl)amino]-2-oxoethyl]thiomorpholine-3-carboxylic acid
CID 82906683
3-[ethyl(2-ethylbutyl)carbamoyl]-1,3-thiazolidine-4-carboxylic acid
CID 61437582
3-[(2-hydroxy-2-methylpropyl)-methylcarbamoyl]-1,3-thiazolidine-4-carboxylic acid
CID 79378331
(4R)-3-[methyl(2,2,2-trifluoroethyl)carbamoyl]-1,3-thiazolidine-4-carboxylic acid
CID 61204589
3-[cyclopentyl(ethyl)carbamoyl]-2-cyclopropyl-1,3-thiazolidine-4-carboxylic acid
CID 63782142
(4R)-3-[methyl(2-methylbutyl)carbamoyl]-1,3-thiazolidine-4-carboxylic acid
CID 61198921
(4R)-3-[(1-ethylpyrrolidin-2-yl)methyl-methylcarbamoyl]-1,3-thiazolidine-4-carboxylic acid
CID 79315750

Frequently Asked Questions

What is the IUPAC name of (4R)-3-[cyclohexyl(ethyl)carbamoyl]-1,3-thiazolidine-4-carboxylic acid?
The IUPAC name of (4R)-3-[cyclohexyl(ethyl)carbamoyl]-1,3-thiazolidine-4-carboxylic acid (CID 61189978) is (4R)-3-[cyclohexyl(ethyl)carbamoyl]-1,3-thiazolidine-4-carboxylic acid.
What is the SMILES notation for (4R)-3-[cyclohexyl(ethyl)carbamoyl]-1,3-thiazolidine-4-carboxylic acid?
The canonical SMILES for (4R)-3-[cyclohexyl(ethyl)carbamoyl]-1,3-thiazolidine-4-carboxylic acid is CCN(C(=O)N1CSC[C@H]1C(=O)O)C1CCCCC1.
What is the InChIKey of (4R)-3-[cyclohexyl(ethyl)carbamoyl]-1,3-thiazolidine-4-carboxylic acid?
The InChIKey is WIPUPDBJSCPOOM-NSHDSACASA-N. The full InChI is InChI=1S/C13H22N2O3S/c1-2-14(10-6-4-3-5-7-10)13(18)15-9-19-8-11(15)12(16)17/h10-11H,2-9H2,1H3,(H,16,17)/t11-/m0/s1.
What are the key properties of (4R)-3-[cyclohexyl(ethyl)carbamoyl]-1,3-thiazolidine-4-carboxylic acid?
(4R)-3-[cyclohexyl(ethyl)carbamoyl]-1,3-thiazolidine-4-carboxylic acid has a molecular weight of 286.40 g/mol, XLogP of 2.22, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-3-[cyclohexyl(ethyl)carbamoyl]-1,3-thiazolidine-4-carboxylic acid is sourced from PubChem (CID 61189978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).