(4R)-3-[(2,2-dimethylcyclopentyl)carbamoyl]-1,3-thiazolidine-4-carboxylic acid

C12H20N2O3S — CID 79878773

IUPAC(4R)-3-[(2,2-dimethylcyclopentyl)carbamoyl]-1,3-thiazolidine-4-carboxylic acid
SMILESCC1(C)CCCC1NC(=O)N1CSC[C@H]1C(=O)O
InChIInChI=1S/C12H20N2O3S/c1-12(2)5-3-4-9(12)13-11(17)14-7-18-6-8(14)10(15)16/h8-9H,3-7H2,1-2H3,(H,13,17)(H,15,16)/t8-,9?/m0/s1
InChIKeyKUVKREZDMLDLHW-IENPIDJESA-N
MW272.37 g/mol
LogP1.73
Rot. Bonds2

About (4R)-3-[(2,2-dimethylcyclopentyl)carbamoyl]-1,3-thiazolidine-4-carboxylic acid

(4R)-3-[(2,2-dimethylcyclopentyl)carbamoyl]-1,3-thiazolidine-4-carboxylic acid (PubChem CID 79878773) has the molecular formula C12H20N2O3S and a molecular weight of 272.37 g/mol. Its IUPAC name is (4R)-3-[(2,2-dimethylcyclopentyl)carbamoyl]-1,3-thiazolidine-4-carboxylic acid.

Molecular Properties

Compound Name(4R)-3-[(2,2-dimethylcyclopentyl)carbamoyl]-1,3-thiazolidine-4-carboxylic acid
PubChem CID79878773
Molecular FormulaC12H20N2O3S
Molecular Weight272.37 g/mol
Exact Mass272.12
IUPAC Name(4R)-3-[(2,2-dimethylcyclopentyl)carbamoyl]-1,3-thiazolidine-4-carboxylic acid
SMILESCC1(C)CCCC1NC(=O)N1CSC[C@H]1C(=O)O
InChIInChI=1S/C12H20N2O3S/c1-12(2)5-3-4-9(12)13-11(17)14-7-18-6-8(14)10(15)16/h8-9H,3-7H2,1-2H3,(H,13,17)(H,15,16)/t8-,9?/m0/s1
InChIKeyKUVKREZDMLDLHW-IENPIDJESA-N
XLogP1.73
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.37
LogP ≤ 51.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-(2,2-dimethylcyclopentanecarbonyl)-1,3-thiazolidine-4-carboxylic acid
CID 107175135
(2S,4S)-1-[(2,2-dimethylcyclopentyl)carbamoyl]-4-hydroxypyrrolidine-2-carboxylic acid
CID 79878536
3-(cyclopentylcarbamoyl)-1,3-thiazolidine-4-carboxylic acid
CID 61188658
(4R)-3-(cyclopropylcarbamoyl)-1,3-thiazolidine-4-carboxylic acid
CID 61187556
3-[(2,2-dimethylcyclopentyl)carbamoyl]-2-propan-2-yl-1,3-thiazolidine-4-carboxylic acid
CID 79870207
1-[(2,2-dimethylcyclohexyl)carbamoyl]-5-oxopiperazine-2-carboxylic acid
CID 107439003
4-[(2,2-dimethylcyclopropyl)carbamoyl]thiomorpholine-3-carboxylic acid
CID 82905297
3-[(2,2-dimethylcyclopentyl)carbamoyl]-2-propyl-1,3-thiazolidine-4-carboxylic acid
CID 79872072
1-[(2,2-dimethylcyclopentyl)carbamoyl]piperidine-4-carboxylic acid
CID 79877781
(4R)-3-(3,3-dimethylpiperidine-2-carbonyl)-1,3-thiazolidine-4-carboxylic acid
CID 114084097
3-(cyclobutylmethylcarbamoyl)-1,3-thiazolidine-4-carboxylic acid
CID 61197228
(4R)-3-(4,4-dimethylazepane-1-carbonyl)-1,3-thiazolidine-4-carboxylic acid
CID 65282799

Frequently Asked Questions

What is the IUPAC name of (4R)-3-[(2,2-dimethylcyclopentyl)carbamoyl]-1,3-thiazolidine-4-carboxylic acid?
The IUPAC name of (4R)-3-[(2,2-dimethylcyclopentyl)carbamoyl]-1,3-thiazolidine-4-carboxylic acid (CID 79878773) is (4R)-3-[(2,2-dimethylcyclopentyl)carbamoyl]-1,3-thiazolidine-4-carboxylic acid.
What is the SMILES notation for (4R)-3-[(2,2-dimethylcyclopentyl)carbamoyl]-1,3-thiazolidine-4-carboxylic acid?
The canonical SMILES for (4R)-3-[(2,2-dimethylcyclopentyl)carbamoyl]-1,3-thiazolidine-4-carboxylic acid is CC1(C)CCCC1NC(=O)N1CSC[C@H]1C(=O)O.
What is the InChIKey of (4R)-3-[(2,2-dimethylcyclopentyl)carbamoyl]-1,3-thiazolidine-4-carboxylic acid?
The InChIKey is KUVKREZDMLDLHW-IENPIDJESA-N. The full InChI is InChI=1S/C12H20N2O3S/c1-12(2)5-3-4-9(12)13-11(17)14-7-18-6-8(14)10(15)16/h8-9H,3-7H2,1-2H3,(H,13,17)(H,15,16)/t8-,9?/m0/s1.
What are the key properties of (4R)-3-[(2,2-dimethylcyclopentyl)carbamoyl]-1,3-thiazolidine-4-carboxylic acid?
(4R)-3-[(2,2-dimethylcyclopentyl)carbamoyl]-1,3-thiazolidine-4-carboxylic acid has a molecular weight of 272.37 g/mol, XLogP of 1.73, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-3-[(2,2-dimethylcyclopentyl)carbamoyl]-1,3-thiazolidine-4-carboxylic acid is sourced from PubChem (CID 79878773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).