(4R)-3-[(2-methylcyclohexyl)methylcarbamoyl]-1,3-thiazolidine-4-carboxylic acid

C13H22N2O3S — CID 55012035

IUPAC(4R)-3-[(2-methylcyclohexyl)methylcarbamoyl]-1,3-thiazolidine-4-carboxylic acid
SMILESCC1CCCCC1CNC(=O)N1CSC[C@H]1C(=O)O
InChIInChI=1S/C13H22N2O3S/c1-9-4-2-3-5-10(9)6-14-13(18)15-8-19-7-11(15)12(16)17/h9-11H,2-8H2,1H3,(H,14,18)(H,16,17)/t9?,10?,11-/m0/s1
InChIKeyGOEBUIKJQGKLFU-ILDUYXDCSA-N
MW286.40 g/mol
LogP1.98
Rot. Bonds3

About (4R)-3-[(2-methylcyclohexyl)methylcarbamoyl]-1,3-thiazolidine-4-carboxylic acid

(4R)-3-[(2-methylcyclohexyl)methylcarbamoyl]-1,3-thiazolidine-4-carboxylic acid (PubChem CID 55012035) has the molecular formula C13H22N2O3S and a molecular weight of 286.40 g/mol. Its IUPAC name is (4R)-3-[(2-methylcyclohexyl)methylcarbamoyl]-1,3-thiazolidine-4-carboxylic acid.

Molecular Properties

Compound Name(4R)-3-[(2-methylcyclohexyl)methylcarbamoyl]-1,3-thiazolidine-4-carboxylic acid
PubChem CID55012035
Molecular FormulaC13H22N2O3S
Molecular Weight286.40 g/mol
Exact Mass286.14
IUPAC Name(4R)-3-[(2-methylcyclohexyl)methylcarbamoyl]-1,3-thiazolidine-4-carboxylic acid
SMILESCC1CCCCC1CNC(=O)N1CSC[C@H]1C(=O)O
InChIInChI=1S/C13H22N2O3S/c1-9-4-2-3-5-10(9)6-14-13(18)15-8-19-7-11(15)12(16)17/h9-11H,2-8H2,1H3,(H,14,18)(H,16,17)/t9?,10?,11-/m0/s1
InChIKeyGOEBUIKJQGKLFU-ILDUYXDCSA-N
XLogP1.98
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.40
LogP ≤ 51.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-(cyclobutylmethylcarbamoyl)-1,3-thiazolidine-4-carboxylic acid
CID 61197228
(4R)-3-(oxan-2-ylmethylcarbamoyl)-1,3-thiazolidine-4-carboxylic acid
CID 55013512
3-methyl-1-[(2-methylcyclohexyl)methylcarbamoyl]pyrrolidine-2-carboxylic acid
CID 102782299
(4R)-3-(2-cyclopentylethylcarbamoyl)-1,3-thiazolidine-4-carboxylic acid
CID 61205759
2-[4-[(2-methylcyclohexyl)methylcarbamoyl]thiomorpholin-3-yl]acetic acid
CID 66443005
2-ethyl-3-[(2-methylcyclopentyl)methylcarbamoyl]-1,3-thiazolidine-4-carboxylic acid
CID 107419835
3-methyl-1-[(2-methylcyclopentyl)methylcarbamoyl]piperidine-2-carboxylic acid
CID 107419814
3-(cyclopentylcarbamoyl)-1,3-thiazolidine-4-carboxylic acid
CID 61188658
(4R)-3-(4-methylpentylcarbamoyl)-1,3-thiazolidine-4-carboxylic acid
CID 63003765
(4R)-3-(cyclopropylcarbamoyl)-1,3-thiazolidine-4-carboxylic acid
CID 61187556
(4R)-3-(3-methylsulfanylbutylcarbamoyl)-1,3-thiazolidine-4-carboxylic acid
CID 104867013
(4R)-3-[3-(methanesulfonamido)propylcarbamoyl]-1,3-thiazolidine-4-carboxylic acid
CID 106340340

Frequently Asked Questions

What is the IUPAC name of (4R)-3-[(2-methylcyclohexyl)methylcarbamoyl]-1,3-thiazolidine-4-carboxylic acid?
The IUPAC name of (4R)-3-[(2-methylcyclohexyl)methylcarbamoyl]-1,3-thiazolidine-4-carboxylic acid (CID 55012035) is (4R)-3-[(2-methylcyclohexyl)methylcarbamoyl]-1,3-thiazolidine-4-carboxylic acid.
What is the SMILES notation for (4R)-3-[(2-methylcyclohexyl)methylcarbamoyl]-1,3-thiazolidine-4-carboxylic acid?
The canonical SMILES for (4R)-3-[(2-methylcyclohexyl)methylcarbamoyl]-1,3-thiazolidine-4-carboxylic acid is CC1CCCCC1CNC(=O)N1CSC[C@H]1C(=O)O.
What is the InChIKey of (4R)-3-[(2-methylcyclohexyl)methylcarbamoyl]-1,3-thiazolidine-4-carboxylic acid?
The InChIKey is GOEBUIKJQGKLFU-ILDUYXDCSA-N. The full InChI is InChI=1S/C13H22N2O3S/c1-9-4-2-3-5-10(9)6-14-13(18)15-8-19-7-11(15)12(16)17/h9-11H,2-8H2,1H3,(H,14,18)(H,16,17)/t9?,10?,11-/m0/s1.
What are the key properties of (4R)-3-[(2-methylcyclohexyl)methylcarbamoyl]-1,3-thiazolidine-4-carboxylic acid?
(4R)-3-[(2-methylcyclohexyl)methylcarbamoyl]-1,3-thiazolidine-4-carboxylic acid has a molecular weight of 286.40 g/mol, XLogP of 1.98, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-3-[(2-methylcyclohexyl)methylcarbamoyl]-1,3-thiazolidine-4-carboxylic acid is sourced from PubChem (CID 55012035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).