(4R)-3-[4-(dimethylamino)butan-2-ylcarbamoyl]-1,3-thiazolidine-4-carboxylic acid

C11H21N3O3S — CID 54968091

IUPAC(4R)-3-[4-(dimethylamino)butan-2-ylcarbamoyl]-1,3-thiazolidine-4-carboxylic acid
SMILESCC(CCN(C)C)NC(=O)N1CSC[C@H]1C(=O)O
InChIInChI=1S/C11H21N3O3S/c1-8(4-5-13(2)3)12-11(17)14-7-18-6-9(14)10(15)16/h8-9H,4-7H2,1-3H3,(H,12,17)(H,15,16)/t8?,9-/m0/s1
InChIKeyBZVHDZFUVITBMW-GKAPJAKFSA-N
MW275.37 g/mol
LogP0.50
Rot. Bonds5

About (4R)-3-[4-(dimethylamino)butan-2-ylcarbamoyl]-1,3-thiazolidine-4-carboxylic acid

(4R)-3-[4-(dimethylamino)butan-2-ylcarbamoyl]-1,3-thiazolidine-4-carboxylic acid (PubChem CID 54968091) has the molecular formula C11H21N3O3S and a molecular weight of 275.37 g/mol. Its IUPAC name is (4R)-3-[4-(dimethylamino)butan-2-ylcarbamoyl]-1,3-thiazolidine-4-carboxylic acid.

Molecular Properties

Compound Name(4R)-3-[4-(dimethylamino)butan-2-ylcarbamoyl]-1,3-thiazolidine-4-carboxylic acid
PubChem CID54968091
Molecular FormulaC11H21N3O3S
Molecular Weight275.37 g/mol
Exact Mass275.13
IUPAC Name(4R)-3-[4-(dimethylamino)butan-2-ylcarbamoyl]-1,3-thiazolidine-4-carboxylic acid
SMILESCC(CCN(C)C)NC(=O)N1CSC[C@H]1C(=O)O
InChIInChI=1S/C11H21N3O3S/c1-8(4-5-13(2)3)12-11(17)14-7-18-6-9(14)10(15)16/h8-9H,4-7H2,1-3H3,(H,12,17)(H,15,16)/t8?,9-/m0/s1
InChIKeyBZVHDZFUVITBMW-GKAPJAKFSA-N
XLogP0.50
TPSA72.88 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.37
LogP ≤ 50.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(4R)-3-(4-methylsulfanylbutan-2-ylcarbamoyl)-1,3-thiazolidine-4-carboxylic acid
CID 104864312
(4R)-3-[2-[methyl(propan-2-yl)amino]ethylcarbamoyl]-1,3-thiazolidine-4-carboxylic acid
CID 62635329
(4R)-3-[1-(4-fluorophenyl)propan-2-ylcarbamoyl]-1,3-thiazolidine-4-carboxylic acid
CID 62994926
3-(1-thiophen-3-ylpropan-2-ylcarbamoyl)-1,3-thiazolidine-4-carboxylic acid
CID 61475565
(4R)-3-(4-methylpentylcarbamoyl)-1,3-thiazolidine-4-carboxylic acid
CID 63003765
(4R)-3-(1-phenylethylcarbamoyl)-1,3-thiazolidine-4-carboxylic acid
CID 61189106
(4R)-3-(3-methylsulfanylbutylcarbamoyl)-1,3-thiazolidine-4-carboxylic acid
CID 104867013
(4R)-3-(7-methyloctylcarbamoyl)-1,3-thiazolidine-4-carboxylic acid
CID 107817207
(4R)-3-[2-hydroxyethyl(propan-2-yl)carbamoyl]-1,3-thiazolidine-4-carboxylic acid
CID 54995462
3-[3-(ethylamino)butanoyl]-1,3-thiazolidine-4-carboxylic acid
CID 62837991
(4R)-3-[methyl(2-methylbutyl)carbamoyl]-1,3-thiazolidine-4-carboxylic acid
CID 61198921
(4R)-3-[methyl(2-methylsulfonylethyl)carbamoyl]-1,3-thiazolidine-4-carboxylic acid
CID 79864242

Frequently Asked Questions

What is the IUPAC name of (4R)-3-[4-(dimethylamino)butan-2-ylcarbamoyl]-1,3-thiazolidine-4-carboxylic acid?
The IUPAC name of (4R)-3-[4-(dimethylamino)butan-2-ylcarbamoyl]-1,3-thiazolidine-4-carboxylic acid (CID 54968091) is (4R)-3-[4-(dimethylamino)butan-2-ylcarbamoyl]-1,3-thiazolidine-4-carboxylic acid.
What is the SMILES notation for (4R)-3-[4-(dimethylamino)butan-2-ylcarbamoyl]-1,3-thiazolidine-4-carboxylic acid?
The canonical SMILES for (4R)-3-[4-(dimethylamino)butan-2-ylcarbamoyl]-1,3-thiazolidine-4-carboxylic acid is CC(CCN(C)C)NC(=O)N1CSC[C@H]1C(=O)O.
What is the InChIKey of (4R)-3-[4-(dimethylamino)butan-2-ylcarbamoyl]-1,3-thiazolidine-4-carboxylic acid?
The InChIKey is BZVHDZFUVITBMW-GKAPJAKFSA-N. The full InChI is InChI=1S/C11H21N3O3S/c1-8(4-5-13(2)3)12-11(17)14-7-18-6-9(14)10(15)16/h8-9H,4-7H2,1-3H3,(H,12,17)(H,15,16)/t8?,9-/m0/s1.
What are the key properties of (4R)-3-[4-(dimethylamino)butan-2-ylcarbamoyl]-1,3-thiazolidine-4-carboxylic acid?
(4R)-3-[4-(dimethylamino)butan-2-ylcarbamoyl]-1,3-thiazolidine-4-carboxylic acid has a molecular weight of 275.37 g/mol, XLogP of 0.50, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-3-[4-(dimethylamino)butan-2-ylcarbamoyl]-1,3-thiazolidine-4-carboxylic acid is sourced from PubChem (CID 54968091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).