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

C11H17NO3S — CID 809589

IUPAC(2R,4R)-3-(cyclopropanecarbonyl)-2-propyl-1,3-thiazolidine-4-carboxylic acid
SMILESCCC[C@H]1SC[C@@H](C(=O)O)N1C(=O)C1CC1
InChIInChI=1S/C11H17NO3S/c1-2-3-9-12(10(13)7-4-5-7)8(6-16-9)11(14)15/h7-9H,2-6H2,1H3,(H,14,15)/t8-,9+/m0/s1
InChIKeyFGEYZDSERHXVRN-DTWKUNHWSA-N
MW243.33 g/mol
LogP1.55
Rot. Bonds4

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

(2R,4R)-3-(cyclopropanecarbonyl)-2-propyl-1,3-thiazolidine-4-carboxylic acid (PubChem CID 809589) has the molecular formula C11H17NO3S and a molecular weight of 243.33 g/mol. Its IUPAC name is (2R,4R)-3-(cyclopropanecarbonyl)-2-propyl-1,3-thiazolidine-4-carboxylic acid.

Molecular Properties

Compound Name(2R,4R)-3-(cyclopropanecarbonyl)-2-propyl-1,3-thiazolidine-4-carboxylic acid
PubChem CID809589
Molecular FormulaC11H17NO3S
Molecular Weight243.33 g/mol
Exact Mass243.09
IUPAC Name(2R,4R)-3-(cyclopropanecarbonyl)-2-propyl-1,3-thiazolidine-4-carboxylic acid
SMILESCCC[C@H]1SC[C@@H](C(=O)O)N1C(=O)C1CC1
InChIInChI=1S/C11H17NO3S/c1-2-3-9-12(10(13)7-4-5-7)8(6-16-9)11(14)15/h7-9H,2-6H2,1H3,(H,14,15)/t8-,9+/m0/s1
InChIKeyFGEYZDSERHXVRN-DTWKUNHWSA-N
XLogP1.55
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.33
LogP ≤ 51.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2R,4R)-3-(cyclopropanecarbonyl)-2-propyl-1,3-thiazolidine-4-carboxylic acid?
The IUPAC name of (2R,4R)-3-(cyclopropanecarbonyl)-2-propyl-1,3-thiazolidine-4-carboxylic acid (CID 809589) is (2R,4R)-3-(cyclopropanecarbonyl)-2-propyl-1,3-thiazolidine-4-carboxylic acid.
What is the SMILES notation for (2R,4R)-3-(cyclopropanecarbonyl)-2-propyl-1,3-thiazolidine-4-carboxylic acid?
The canonical SMILES for (2R,4R)-3-(cyclopropanecarbonyl)-2-propyl-1,3-thiazolidine-4-carboxylic acid is CCC[C@H]1SC[C@@H](C(=O)O)N1C(=O)C1CC1.
What is the InChIKey of (2R,4R)-3-(cyclopropanecarbonyl)-2-propyl-1,3-thiazolidine-4-carboxylic acid?
The InChIKey is FGEYZDSERHXVRN-DTWKUNHWSA-N. The full InChI is InChI=1S/C11H17NO3S/c1-2-3-9-12(10(13)7-4-5-7)8(6-16-9)11(14)15/h7-9H,2-6H2,1H3,(H,14,15)/t8-,9+/m0/s1.
What are the key properties of (2R,4R)-3-(cyclopropanecarbonyl)-2-propyl-1,3-thiazolidine-4-carboxylic acid?
(2R,4R)-3-(cyclopropanecarbonyl)-2-propyl-1,3-thiazolidine-4-carboxylic acid has a molecular weight of 243.33 g/mol, XLogP of 1.55, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,4R)-3-(cyclopropanecarbonyl)-2-propyl-1,3-thiazolidine-4-carboxylic acid is sourced from PubChem (CID 809589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).