2-[1-[methyl(1,3-thiazolidine-4-carbonyl)amino]cyclohexyl]acetic acid

C13H22N2O3S — CID 65240498

IUPAC2-[1-[methyl(1,3-thiazolidine-4-carbonyl)amino]cyclohexyl]acetic acid
SMILESCN(C(=O)C1CSCN1)C1(CC(=O)O)CCCCC1
InChIInChI=1S/C13H22N2O3S/c1-15(12(18)10-8-19-9-14-10)13(7-11(16)17)5-3-2-4-6-13/h10,14H,2-9H2,1H3,(H,16,17)
InChIKeyLCMVLJSCFLCBGZ-UHFFFAOYSA-N
MW286.40 g/mol
LogP1.28
Rot. Bonds4

About 2-[1-[methyl(1,3-thiazolidine-4-carbonyl)amino]cyclohexyl]acetic acid

2-[1-[methyl(1,3-thiazolidine-4-carbonyl)amino]cyclohexyl]acetic acid (PubChem CID 65240498) has the molecular formula C13H22N2O3S and a molecular weight of 286.40 g/mol. Its IUPAC name is 2-[1-[methyl(1,3-thiazolidine-4-carbonyl)amino]cyclohexyl]acetic acid.

Molecular Properties

Compound Name2-[1-[methyl(1,3-thiazolidine-4-carbonyl)amino]cyclohexyl]acetic acid
PubChem CID65240498
Molecular FormulaC13H22N2O3S
Molecular Weight286.40 g/mol
Exact Mass286.14
IUPAC Name2-[1-[methyl(1,3-thiazolidine-4-carbonyl)amino]cyclohexyl]acetic acid
SMILESCN(C(=O)C1CSCN1)C1(CC(=O)O)CCCCC1
InChIInChI=1S/C13H22N2O3S/c1-15(12(18)10-8-19-9-14-10)13(7-11(16)17)5-3-2-4-6-13/h10,14H,2-9H2,1H3,(H,16,17)
InChIKeyLCMVLJSCFLCBGZ-UHFFFAOYSA-N
XLogP1.28
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.40
LogP ≤ 51.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[1-[bicyclo[4.1.0]heptane-7-carbonyl(methyl)amino]cyclohexyl]acetic acid
CID 81368303
2-[1-[acetyl(methyl)amino]cyclohexyl]acetic acid
CID 65238588
2-[1-[methyl(propanoyl)amino]cyclohexyl]acetic acid
CID 65242914
2-[1-(dimethylamino)cycloheptyl]acetic acid
CID 64526393
N-[[1-(dimethylamino)cyclobutyl]methyl]-1,3-thiazolidine-4-carboxamide
CID 105417283
2-[1-[(1-aminocyclohexanecarbonyl)-methylamino]cyclohexyl]acetic acid
CID 65240691
N-[2-(dimethylamino)ethyl]-N-methyl-1,3-thiazolidine-4-carboxamide
CID 63695214
2-[1-[[cyclopropyl(ethyl)carbamoyl]-methylamino]cyclohexyl]acetic acid
CID 65240704
2-[1-[2-aminobutanoyl(methyl)amino]cyclohexyl]acetic acid
CID 65240551
2-[1-[2-(azetidin-3-yl)propanoyl-methylamino]cyclohexyl]acetic acid
CID 116678184
N-methoxy-N-methyl-1,3-thiazolidine-4-carboxamide
CID 22922472
N-ethyl-N-hydroxy-1,3-thiazolidine-4-carboxamide
CID 131080910

Frequently Asked Questions

What is the IUPAC name of 2-[1-[methyl(1,3-thiazolidine-4-carbonyl)amino]cyclohexyl]acetic acid?
The IUPAC name of 2-[1-[methyl(1,3-thiazolidine-4-carbonyl)amino]cyclohexyl]acetic acid (CID 65240498) is 2-[1-[methyl(1,3-thiazolidine-4-carbonyl)amino]cyclohexyl]acetic acid.
What is the SMILES notation for 2-[1-[methyl(1,3-thiazolidine-4-carbonyl)amino]cyclohexyl]acetic acid?
The canonical SMILES for 2-[1-[methyl(1,3-thiazolidine-4-carbonyl)amino]cyclohexyl]acetic acid is CN(C(=O)C1CSCN1)C1(CC(=O)O)CCCCC1.
What is the InChIKey of 2-[1-[methyl(1,3-thiazolidine-4-carbonyl)amino]cyclohexyl]acetic acid?
The InChIKey is LCMVLJSCFLCBGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O3S/c1-15(12(18)10-8-19-9-14-10)13(7-11(16)17)5-3-2-4-6-13/h10,14H,2-9H2,1H3,(H,16,17).
What are the key properties of 2-[1-[methyl(1,3-thiazolidine-4-carbonyl)amino]cyclohexyl]acetic acid?
2-[1-[methyl(1,3-thiazolidine-4-carbonyl)amino]cyclohexyl]acetic acid has a molecular weight of 286.40 g/mol, XLogP of 1.28, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[methyl(1,3-thiazolidine-4-carbonyl)amino]cyclohexyl]acetic acid is sourced from PubChem (CID 65240498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).