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

C11H20N2O3S — CID 61198921

IUPAC(4R)-3-[methyl(2-methylbutyl)carbamoyl]-1,3-thiazolidine-4-carboxylic acid
SMILESCCC(C)CN(C)C(=O)N1CSC[C@H]1C(=O)O
InChIInChI=1S/C11H20N2O3S/c1-4-8(2)5-12(3)11(16)13-7-17-6-9(13)10(14)15/h8-9H,4-7H2,1-3H3,(H,14,15)/t8?,9-/m0/s1
InChIKeyLIPATRUUUPEQPT-GKAPJAKFSA-N
MW260.36 g/mol
LogP1.54
Rot. Bonds4

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

(4R)-3-[methyl(2-methylbutyl)carbamoyl]-1,3-thiazolidine-4-carboxylic acid (PubChem CID 61198921) has the molecular formula C11H20N2O3S and a molecular weight of 260.36 g/mol. Its IUPAC name is (4R)-3-[methyl(2-methylbutyl)carbamoyl]-1,3-thiazolidine-4-carboxylic acid.

Molecular Properties

Compound Name(4R)-3-[methyl(2-methylbutyl)carbamoyl]-1,3-thiazolidine-4-carboxylic acid
PubChem CID61198921
Molecular FormulaC11H20N2O3S
Molecular Weight260.36 g/mol
Exact Mass260.12
IUPAC Name(4R)-3-[methyl(2-methylbutyl)carbamoyl]-1,3-thiazolidine-4-carboxylic acid
SMILESCCC(C)CN(C)C(=O)N1CSC[C@H]1C(=O)O
InChIInChI=1S/C11H20N2O3S/c1-4-8(2)5-12(3)11(16)13-7-17-6-9(13)10(14)15/h8-9H,4-7H2,1-3H3,(H,14,15)/t8?,9-/m0/s1
InChIKeyLIPATRUUUPEQPT-GKAPJAKFSA-N
XLogP1.54
TPSA60.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.36
LogP ≤ 51.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[ethyl(2-ethylbutyl)carbamoyl]-1,3-thiazolidine-4-carboxylic acid
CID 61437582
3-[(2-hydroxy-2-methylpropyl)-methylcarbamoyl]-1,3-thiazolidine-4-carboxylic acid
CID 79378331
(4R)-3-[methyl(2,2,2-trifluoroethyl)carbamoyl]-1,3-thiazolidine-4-carboxylic acid
CID 61204589
3-[(2-ethoxy-2-oxoethyl)-methylcarbamoyl]-1,3-thiazolidine-4-carboxylic acid
CID 54969155
(4R)-3-[methyl(2-methylsulfonylethyl)carbamoyl]-1,3-thiazolidine-4-carboxylic acid
CID 79864242
(4R)-3-[[2-(cyclopropylamino)-2-oxoethyl]-methylcarbamoyl]-1,3-thiazolidine-4-carboxylic acid
CID 55003404
2-methyl-3-[methyl(2-methylbutyl)carbamoyl]-1,3-thiazolidine-4-carboxylic acid
CID 63781954
(4R)-3-[(1-hydroxy-2-methylpropan-2-yl)-methylcarbamoyl]-1,3-thiazolidine-4-carboxylic acid
CID 104864060
(4R)-3-[cyclopropyl(2-methylpropyl)carbamoyl]-1,3-thiazolidine-4-carboxylic acid
CID 55001025
3-(2-ethylbutanoyl)-1,3-thiazolidine-4-carboxylic acid
CID 24702600
3-[butan-2-yl(butyl)carbamoyl]-1,3-thiazolidine-4-carboxylic acid
CID 55004481
(4R)-3-[(1-ethylpyrrolidin-2-yl)methyl-methylcarbamoyl]-1,3-thiazolidine-4-carboxylic acid
CID 79315750

Frequently Asked Questions

What is the IUPAC name of (4R)-3-[methyl(2-methylbutyl)carbamoyl]-1,3-thiazolidine-4-carboxylic acid?
The IUPAC name of (4R)-3-[methyl(2-methylbutyl)carbamoyl]-1,3-thiazolidine-4-carboxylic acid (CID 61198921) is (4R)-3-[methyl(2-methylbutyl)carbamoyl]-1,3-thiazolidine-4-carboxylic acid.
What is the SMILES notation for (4R)-3-[methyl(2-methylbutyl)carbamoyl]-1,3-thiazolidine-4-carboxylic acid?
The canonical SMILES for (4R)-3-[methyl(2-methylbutyl)carbamoyl]-1,3-thiazolidine-4-carboxylic acid is CCC(C)CN(C)C(=O)N1CSC[C@H]1C(=O)O.
What is the InChIKey of (4R)-3-[methyl(2-methylbutyl)carbamoyl]-1,3-thiazolidine-4-carboxylic acid?
The InChIKey is LIPATRUUUPEQPT-GKAPJAKFSA-N. The full InChI is InChI=1S/C11H20N2O3S/c1-4-8(2)5-12(3)11(16)13-7-17-6-9(13)10(14)15/h8-9H,4-7H2,1-3H3,(H,14,15)/t8?,9-/m0/s1.
What are the key properties of (4R)-3-[methyl(2-methylbutyl)carbamoyl]-1,3-thiazolidine-4-carboxylic acid?
(4R)-3-[methyl(2-methylbutyl)carbamoyl]-1,3-thiazolidine-4-carboxylic acid has a molecular weight of 260.36 g/mol, XLogP of 1.54, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-3-[methyl(2-methylbutyl)carbamoyl]-1,3-thiazolidine-4-carboxylic acid is sourced from PubChem (CID 61198921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).