2-cyclopropyl-3-[(Z)-2-methylpent-2-enoyl]-1,3-thiazolidine-4-carboxylic acid

C13H19NO3S — CID 55235528

IUPAC2-cyclopropyl-3-[(Z)-2-methylpent-2-enoyl]-1,3-thiazolidine-4-carboxylic acid
SMILESCC/C=C(/C)C(=O)N1C(C(=O)O)CSC1C1CC1
InChIInChI=1S/C13H19NO3S/c1-3-4-8(2)11(15)14-10(13(16)17)7-18-12(14)9-5-6-9/h4,9-10,12H,3,5-7H2,1-2H3,(H,16,17)/b8-4-
InChIKeySZEYLZYLUUKYEE-YWEYNIOJSA-N
MW269.37 g/mol
LogP2.11
Rot. Bonds4

About 2-cyclopropyl-3-[(Z)-2-methylpent-2-enoyl]-1,3-thiazolidine-4-carboxylic acid

2-cyclopropyl-3-[(Z)-2-methylpent-2-enoyl]-1,3-thiazolidine-4-carboxylic acid (PubChem CID 55235528) has the molecular formula C13H19NO3S and a molecular weight of 269.37 g/mol. Its IUPAC name is 2-cyclopropyl-3-[(Z)-2-methylpent-2-enoyl]-1,3-thiazolidine-4-carboxylic acid.

Molecular Properties

Compound Name2-cyclopropyl-3-[(Z)-2-methylpent-2-enoyl]-1,3-thiazolidine-4-carboxylic acid
PubChem CID55235528
Molecular FormulaC13H19NO3S
Molecular Weight269.37 g/mol
Exact Mass269.11
IUPAC Name2-cyclopropyl-3-[(Z)-2-methylpent-2-enoyl]-1,3-thiazolidine-4-carboxylic acid
SMILESCC/C=C(/C)C(=O)N1C(C(=O)O)CSC1C1CC1
InChIInChI=1S/C13H19NO3S/c1-3-4-8(2)11(15)14-10(13(16)17)7-18-12(14)9-5-6-9/h4,9-10,12H,3,5-7H2,1-2H3,(H,16,17)/b8-4-
InChIKeySZEYLZYLUUKYEE-YWEYNIOJSA-N
XLogP2.11
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.37
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-3-[(Z)-2-methylpent-2-enoyl]-1,3-thiazolidine-4-carboxylic acid?
The IUPAC name of 2-cyclopropyl-3-[(Z)-2-methylpent-2-enoyl]-1,3-thiazolidine-4-carboxylic acid (CID 55235528) is 2-cyclopropyl-3-[(Z)-2-methylpent-2-enoyl]-1,3-thiazolidine-4-carboxylic acid.
What is the SMILES notation for 2-cyclopropyl-3-[(Z)-2-methylpent-2-enoyl]-1,3-thiazolidine-4-carboxylic acid?
The canonical SMILES for 2-cyclopropyl-3-[(Z)-2-methylpent-2-enoyl]-1,3-thiazolidine-4-carboxylic acid is CC/C=C(/C)C(=O)N1C(C(=O)O)CSC1C1CC1.
What is the InChIKey of 2-cyclopropyl-3-[(Z)-2-methylpent-2-enoyl]-1,3-thiazolidine-4-carboxylic acid?
The InChIKey is SZEYLZYLUUKYEE-YWEYNIOJSA-N. The full InChI is InChI=1S/C13H19NO3S/c1-3-4-8(2)11(15)14-10(13(16)17)7-18-12(14)9-5-6-9/h4,9-10,12H,3,5-7H2,1-2H3,(H,16,17)/b8-4-.
What are the key properties of 2-cyclopropyl-3-[(Z)-2-methylpent-2-enoyl]-1,3-thiazolidine-4-carboxylic acid?
2-cyclopropyl-3-[(Z)-2-methylpent-2-enoyl]-1,3-thiazolidine-4-carboxylic acid has a molecular weight of 269.37 g/mol, XLogP of 2.11, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-3-[(Z)-2-methylpent-2-enoyl]-1,3-thiazolidine-4-carboxylic acid is sourced from PubChem (CID 55235528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).