(4R)-3-(2-cyclopentylethylcarbamoyl)-1,3-thiazolidine-4-carboxylic acid

C12H20N2O3S — CID 61205759

IUPAC(4R)-3-(2-cyclopentylethylcarbamoyl)-1,3-thiazolidine-4-carboxylic acid
SMILESO=C(O)[C@@H]1CSCN1C(=O)NCCC1CCCC1
InChIInChI=1S/C12H20N2O3S/c15-11(16)10-7-18-8-14(10)12(17)13-6-5-9-3-1-2-4-9/h9-10H,1-8H2,(H,13,17)(H,15,16)/t10-/m0/s1
InChIKeyKVQCILCMMMTTTD-JTQLQIEISA-N
MW272.37 g/mol
LogP1.74
Rot. Bonds4

About (4R)-3-(2-cyclopentylethylcarbamoyl)-1,3-thiazolidine-4-carboxylic acid

(4R)-3-(2-cyclopentylethylcarbamoyl)-1,3-thiazolidine-4-carboxylic acid (PubChem CID 61205759) has the molecular formula C12H20N2O3S and a molecular weight of 272.37 g/mol. Its IUPAC name is (4R)-3-(2-cyclopentylethylcarbamoyl)-1,3-thiazolidine-4-carboxylic acid.

Molecular Properties

Compound Name(4R)-3-(2-cyclopentylethylcarbamoyl)-1,3-thiazolidine-4-carboxylic acid
PubChem CID61205759
Molecular FormulaC12H20N2O3S
Molecular Weight272.37 g/mol
Exact Mass272.12
IUPAC Name(4R)-3-(2-cyclopentylethylcarbamoyl)-1,3-thiazolidine-4-carboxylic acid
SMILESO=C(O)[C@@H]1CSCN1C(=O)NCCC1CCCC1
InChIInChI=1S/C12H20N2O3S/c15-11(16)10-7-18-8-14(10)12(17)13-6-5-9-3-1-2-4-9/h9-10H,1-8H2,(H,13,17)(H,15,16)/t10-/m0/s1
InChIKeyKVQCILCMMMTTTD-JTQLQIEISA-N
XLogP1.74
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.37
LogP ≤ 51.74
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-[2-(trifluoromethylsulfanyl)ethylcarbamoyl]-1,3-thiazolidine-4-carboxylic acid
CID 106431555
(2R,4R)-1-(2-cyclopentylethylcarbamoyl)-4-hydroxypyrrolidine-2-carboxylic acid
CID 79000176
3-(cyclopentylcarbamoyl)-1,3-thiazolidine-4-carboxylic acid
CID 61188658
(4R)-3-[(2-methylcyclohexyl)methylcarbamoyl]-1,3-thiazolidine-4-carboxylic acid
CID 55012035
1-(2-cyclopropylethylcarbamoyl)azocane-2-carboxylic acid
CID 114239870
(4R)-3-(4-methylpentylcarbamoyl)-1,3-thiazolidine-4-carboxylic acid
CID 63003765
(4R)-3-(oxan-2-ylmethylcarbamoyl)-1,3-thiazolidine-4-carboxylic acid
CID 55013512
(4R)-3-(hex-5-ynylcarbamoyl)-1,3-thiazolidine-4-carboxylic acid
CID 106216192
1-(2-cyclobutylethylcarbamoyl)-4-hydroxypyrrolidine-2-carboxylic acid
CID 113364354
(4R)-3-(3-methylsulfanylbutylcarbamoyl)-1,3-thiazolidine-4-carboxylic acid
CID 104867013
(4R)-3-(7-methyloctylcarbamoyl)-1,3-thiazolidine-4-carboxylic acid
CID 107817207

Frequently Asked Questions

What is the IUPAC name of (4R)-3-(2-cyclopentylethylcarbamoyl)-1,3-thiazolidine-4-carboxylic acid?
The IUPAC name of (4R)-3-(2-cyclopentylethylcarbamoyl)-1,3-thiazolidine-4-carboxylic acid (CID 61205759) is (4R)-3-(2-cyclopentylethylcarbamoyl)-1,3-thiazolidine-4-carboxylic acid.
What is the SMILES notation for (4R)-3-(2-cyclopentylethylcarbamoyl)-1,3-thiazolidine-4-carboxylic acid?
The canonical SMILES for (4R)-3-(2-cyclopentylethylcarbamoyl)-1,3-thiazolidine-4-carboxylic acid is O=C(O)[C@@H]1CSCN1C(=O)NCCC1CCCC1.
What is the InChIKey of (4R)-3-(2-cyclopentylethylcarbamoyl)-1,3-thiazolidine-4-carboxylic acid?
The InChIKey is KVQCILCMMMTTTD-JTQLQIEISA-N. The full InChI is InChI=1S/C12H20N2O3S/c15-11(16)10-7-18-8-14(10)12(17)13-6-5-9-3-1-2-4-9/h9-10H,1-8H2,(H,13,17)(H,15,16)/t10-/m0/s1.
What are the key properties of (4R)-3-(2-cyclopentylethylcarbamoyl)-1,3-thiazolidine-4-carboxylic acid?
(4R)-3-(2-cyclopentylethylcarbamoyl)-1,3-thiazolidine-4-carboxylic acid has a molecular weight of 272.37 g/mol, XLogP of 1.74, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-3-(2-cyclopentylethylcarbamoyl)-1,3-thiazolidine-4-carboxylic acid is sourced from PubChem (CID 61205759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).