(2R,4R)-3-pentanoyl-2-propyl-1,3-thiazolidine-4-carboxylate

C12H20NO3S- — CID 7437961

IUPAC(2R,4R)-3-pentanoyl-2-propyl-1,3-thiazolidine-4-carboxylate
SMILESCCCCC(=O)N1[C@@H](CCC)SC[C@H]1C(=O)[O-]
InChIInChI=1S/C12H21NO3S/c1-3-5-7-10(14)13-9(12(15)16)8-17-11(13)6-4-2/h9,11H,3-8H2,1-2H3,(H,15,16)/p-1/t9-,11+/m0/s1
InChIKeyPXDFBTJFLHNTER-GXSJLCMTSA-M
MW258.36 g/mol
LogP1.00
Rot. Bonds6

About (2R,4R)-3-pentanoyl-2-propyl-1,3-thiazolidine-4-carboxylate

(2R,4R)-3-pentanoyl-2-propyl-1,3-thiazolidine-4-carboxylate (PubChem CID 7437961) has the molecular formula C12H20NO3S- and a molecular weight of 258.36 g/mol. Its IUPAC name is (2R,4R)-3-pentanoyl-2-propyl-1,3-thiazolidine-4-carboxylate.

Molecular Properties

Compound Name(2R,4R)-3-pentanoyl-2-propyl-1,3-thiazolidine-4-carboxylate
PubChem CID7437961
Molecular FormulaC12H20NO3S-
Molecular Weight258.36 g/mol
Exact Mass258.12
IUPAC Name(2R,4R)-3-pentanoyl-2-propyl-1,3-thiazolidine-4-carboxylate
SMILESCCCCC(=O)N1[C@@H](CCC)SC[C@H]1C(=O)[O-]
InChIInChI=1S/C12H21NO3S/c1-3-5-7-10(14)13-9(12(15)16)8-17-11(13)6-4-2/h9,11H,3-8H2,1-2H3,(H,15,16)/p-1/t9-,11+/m0/s1
InChIKeyPXDFBTJFLHNTER-GXSJLCMTSA-M
XLogP1.00
TPSA60.44 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.36
LogP ≤ 51.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze (2R,4R)-3-pentanoyl-2-propyl-1,3-thiazolidine-4-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2S,4S)-3-pentanoyl-2-propyl-1,3-thiazolidine-4-carboxylic acid
CID 7437958
butyl 3-butanoyl-2-propyl-1,3-thiazolidine-4-carboxylate
CID 42748996
2-ethyl-3-pentanoyl-1,3-thiazolidine-4-carboxylic acid
CID 63792524
(2S,4S)-N-(4-methylphenyl)-3-pentanoyl-2-propyl-1,3-thiazolidine-4-carboxamide
CID 7495246
(2R,4R)-N-(4-methylphenyl)-3-pentanoyl-2-propyl-1,3-thiazolidine-4-carboxamide
CID 7495247
2-ethyl-3-nonanoyl-1,3-thiazolidine-4-carboxylic acid
CID 63792526
3-(6-amino-4,4-dimethylhexanoyl)-2-propyl-1,3-thiazolidine-4-carboxylic acid
CID 65291778
3-(3-phenylpropanoyl)-2-propyl-1,3-thiazolidine-4-carboxylic acid
CID 63791346
2-pentyl-3-(3-phenylpropanoyl)-1,3-thiazolidine-4-carboxylic acid
CID 42728675
2-propyl-3-[3-(triazol-1-yl)propanoyl]-1,3-thiazolidine-4-carboxylic acid
CID 63792400
3-decanoyl-2-methyl-1,3-thiazolidine-4-carboxylic acid
CID 63792861
methyl 3-(3,3-dimethylbutanoyl)-2-pentyl-1,3-thiazolidine-4-carboxylate
CID 42729354

Frequently Asked Questions

What is the IUPAC name of (2R,4R)-3-pentanoyl-2-propyl-1,3-thiazolidine-4-carboxylate?
The IUPAC name of (2R,4R)-3-pentanoyl-2-propyl-1,3-thiazolidine-4-carboxylate (CID 7437961) is (2R,4R)-3-pentanoyl-2-propyl-1,3-thiazolidine-4-carboxylate.
What is the SMILES notation for (2R,4R)-3-pentanoyl-2-propyl-1,3-thiazolidine-4-carboxylate?
The canonical SMILES for (2R,4R)-3-pentanoyl-2-propyl-1,3-thiazolidine-4-carboxylate is CCCCC(=O)N1[C@@H](CCC)SC[C@H]1C(=O)[O-].
What is the InChIKey of (2R,4R)-3-pentanoyl-2-propyl-1,3-thiazolidine-4-carboxylate?
The InChIKey is PXDFBTJFLHNTER-GXSJLCMTSA-M. The full InChI is InChI=1S/C12H21NO3S/c1-3-5-7-10(14)13-9(12(15)16)8-17-11(13)6-4-2/h9,11H,3-8H2,1-2H3,(H,15,16)/p-1/t9-,11+/m0/s1.
What are the key properties of (2R,4R)-3-pentanoyl-2-propyl-1,3-thiazolidine-4-carboxylate?
(2R,4R)-3-pentanoyl-2-propyl-1,3-thiazolidine-4-carboxylate has a molecular weight of 258.36 g/mol, XLogP of 1.00, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,4R)-3-pentanoyl-2-propyl-1,3-thiazolidine-4-carboxylate is sourced from PubChem (CID 7437961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).