(2S,4R)-2-(2-methylpropyl)-3-propanoyl-1,3-thiazolidine-4-carboxylic acid

C11H19NO3S — CID 7438953

IUPAC(2S,4R)-2-(2-methylpropyl)-3-propanoyl-1,3-thiazolidine-4-carboxylic acid
SMILESCCC(=O)N1[C@H](CC(C)C)SC[C@H]1C(=O)O
InChIInChI=1S/C11H19NO3S/c1-4-9(13)12-8(11(14)15)6-16-10(12)5-7(2)3/h7-8,10H,4-6H2,1-3H3,(H,14,15)/t8-,10-/m0/s1
InChIKeyLSMDQEWROOGUET-WPRPVWTQSA-N
MW245.34 g/mol
LogP1.80
Rot. Bonds4

About (2S,4R)-2-(2-methylpropyl)-3-propanoyl-1,3-thiazolidine-4-carboxylic acid

(2S,4R)-2-(2-methylpropyl)-3-propanoyl-1,3-thiazolidine-4-carboxylic acid (PubChem CID 7438953) has the molecular formula C11H19NO3S and a molecular weight of 245.34 g/mol. Its IUPAC name is (2S,4R)-2-(2-methylpropyl)-3-propanoyl-1,3-thiazolidine-4-carboxylic acid.

Molecular Properties

Compound Name(2S,4R)-2-(2-methylpropyl)-3-propanoyl-1,3-thiazolidine-4-carboxylic acid
PubChem CID7438953
Molecular FormulaC11H19NO3S
Molecular Weight245.34 g/mol
Exact Mass245.11
IUPAC Name(2S,4R)-2-(2-methylpropyl)-3-propanoyl-1,3-thiazolidine-4-carboxylic acid
SMILESCCC(=O)N1[C@H](CC(C)C)SC[C@H]1C(=O)O
InChIInChI=1S/C11H19NO3S/c1-4-9(13)12-8(11(14)15)6-16-10(12)5-7(2)3/h7-8,10H,4-6H2,1-3H3,(H,14,15)/t8-,10-/m0/s1
InChIKeyLSMDQEWROOGUET-WPRPVWTQSA-N
XLogP1.80
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.34
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(2-methylpropanoyl)-2-(2-methylpropyl)-1,3-thiazolidine-4-carboxylic acid
CID 42744251
1-[2-(2-methylpropyl)-4-(pyrrolidine-1-carbonyl)-1,3-thiazolidin-3-yl]propan-1-one
CID 42748066
(2R,4R)-3-(4-tert-butylbenzoyl)-2-(2-methylpropyl)-1,3-thiazolidine-4-carboxylic acid
CID 809618
(2R,4R)-3-(2-methylbenzoyl)-2-(2-methylpropyl)-1,3-thiazolidine-4-carboxylic acid
CID 809608
2-ethyl-3-pentanoyl-1,3-thiazolidine-4-carboxylic acid
CID 63792524
2-ethyl-3-[methyl(2-methylpropyl)carbamoyl]-1,3-thiazolidine-4-carboxylic acid
CID 63780350
3-(9H-fluoren-9-ylmethoxycarbonyl)-2-(2-methylpropyl)-1,3-thiazolidine-4-carboxylic acid
CID 165476474
3-[[1-(dimethylamino)-1-oxopropan-2-yl]carbamoyl]-2-ethyl-1,3-thiazolidine-4-carboxylic acid
CID 63781123
2-ethyl-3-(3,3,3-trifluoropropanoyl)-1,3-thiazolidine-4-carboxylic acid
CID 63792537
(2S,4S)-3-pentanoyl-2-propyl-1,3-thiazolidine-4-carboxylic acid
CID 7437958
3-(4-amino-3-methoxybutanoyl)-2-propyl-1,3-thiazolidine-4-carboxylic acid
CID 103155911
2-ethyl-3-(3-ethylpentan-2-ylcarbamoyl)-1,3-thiazolidine-4-carboxylic acid
CID 63843413

Frequently Asked Questions

What is the IUPAC name of (2S,4R)-2-(2-methylpropyl)-3-propanoyl-1,3-thiazolidine-4-carboxylic acid?
The IUPAC name of (2S,4R)-2-(2-methylpropyl)-3-propanoyl-1,3-thiazolidine-4-carboxylic acid (CID 7438953) is (2S,4R)-2-(2-methylpropyl)-3-propanoyl-1,3-thiazolidine-4-carboxylic acid.
What is the SMILES notation for (2S,4R)-2-(2-methylpropyl)-3-propanoyl-1,3-thiazolidine-4-carboxylic acid?
The canonical SMILES for (2S,4R)-2-(2-methylpropyl)-3-propanoyl-1,3-thiazolidine-4-carboxylic acid is CCC(=O)N1[C@H](CC(C)C)SC[C@H]1C(=O)O.
What is the InChIKey of (2S,4R)-2-(2-methylpropyl)-3-propanoyl-1,3-thiazolidine-4-carboxylic acid?
The InChIKey is LSMDQEWROOGUET-WPRPVWTQSA-N. The full InChI is InChI=1S/C11H19NO3S/c1-4-9(13)12-8(11(14)15)6-16-10(12)5-7(2)3/h7-8,10H,4-6H2,1-3H3,(H,14,15)/t8-,10-/m0/s1.
What are the key properties of (2S,4R)-2-(2-methylpropyl)-3-propanoyl-1,3-thiazolidine-4-carboxylic acid?
(2S,4R)-2-(2-methylpropyl)-3-propanoyl-1,3-thiazolidine-4-carboxylic acid has a molecular weight of 245.34 g/mol, XLogP of 1.80, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,4R)-2-(2-methylpropyl)-3-propanoyl-1,3-thiazolidine-4-carboxylic acid is sourced from PubChem (CID 7438953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).