methyl 2-butyl-1,3-thiazolidine-4-carboxylate

C9H17NO2S — CID 15497759

IUPACmethyl 2-butyl-1,3-thiazolidine-4-carboxylate
SMILESCCCCC1NC(C(=O)OC)CS1
InChIInChI=1S/C9H17NO2S/c1-3-4-5-8-10-7(6-13-8)9(11)12-2/h7-8,10H,3-6H2,1-2H3
InChIKeyKUNUCHKRJUOTPO-UHFFFAOYSA-N
MW203.31 g/mol
LogP1.38
Rot. Bonds4

About methyl 2-butyl-1,3-thiazolidine-4-carboxylate

methyl 2-butyl-1,3-thiazolidine-4-carboxylate (PubChem CID 15497759) has the molecular formula C9H17NO2S and a molecular weight of 203.31 g/mol. Its IUPAC name is methyl 2-butyl-1,3-thiazolidine-4-carboxylate.

Molecular Properties

Compound Namemethyl 2-butyl-1,3-thiazolidine-4-carboxylate
PubChem CID15497759
Molecular FormulaC9H17NO2S
Molecular Weight203.31 g/mol
Exact Mass203.10
IUPAC Namemethyl 2-butyl-1,3-thiazolidine-4-carboxylate
SMILESCCCCC1NC(C(=O)OC)CS1
InChIInChI=1S/C9H17NO2S/c1-3-4-5-8-10-7(6-13-8)9(11)12-2/h7-8,10H,3-6H2,1-2H3
InChIKeyKUNUCHKRJUOTPO-UHFFFAOYSA-N
XLogP1.38
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.31
LogP ≤ 51.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-Hexyl-4-thiazolidinecarboxylic acid
CID 583513
2-Butyl-1,3-thiazolidine-4-carboxylic acid
CID 3132640
2-Pentyl-1,3-thiazolidine-4-carboxylic acid
CID 432027
4-Thiazolidinecarboxylic acid, methyl ester
CID 93329
Methyl thiazolidine-4-carboxylate hydrochloride
CID 170893
methyl (4R)-2-methyl-1,3-thiazolidine-4-carboxylate
CID 45082403
(4R)-2-decylthiazolidine-4-carboxylic acid
CID 2727676
(4R)-2-undecyl-1,3-thiazolidine-4-carboxylic acid
CID 2727678
(4R)-2-pentyl-1,3-thiazolidine-4-carboxylic acid
CID 44370453
4-Thiazolidinecarboxylic acid, 2-methyl-2-(2-(2-methyl-1,3-dithiolan-2-yl)ethyl)-, ethyl ester
CID 3074293
ethyl (4R)-2-methyl-1,3-thiazolidine-4-carboxylate
CID 54231762
Methyl 2-methyl-1,3-thiazolidine-4-carboxylate
CID 14377868

Frequently Asked Questions

What is the IUPAC name of methyl 2-butyl-1,3-thiazolidine-4-carboxylate?
The IUPAC name of methyl 2-butyl-1,3-thiazolidine-4-carboxylate (CID 15497759) is methyl 2-butyl-1,3-thiazolidine-4-carboxylate.
What is the SMILES notation for methyl 2-butyl-1,3-thiazolidine-4-carboxylate?
The canonical SMILES for methyl 2-butyl-1,3-thiazolidine-4-carboxylate is CCCCC1NC(C(=O)OC)CS1.
What is the InChIKey of methyl 2-butyl-1,3-thiazolidine-4-carboxylate?
The InChIKey is KUNUCHKRJUOTPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO2S/c1-3-4-5-8-10-7(6-13-8)9(11)12-2/h7-8,10H,3-6H2,1-2H3.
What are the key properties of methyl 2-butyl-1,3-thiazolidine-4-carboxylate?
methyl 2-butyl-1,3-thiazolidine-4-carboxylate has a molecular weight of 203.31 g/mol, XLogP of 1.38, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-butyl-1,3-thiazolidine-4-carboxylate is sourced from PubChem (CID 15497759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).