methyl (4R)-3-formyl-2,2-dimethyl-1,3-thiazolidine-4-carboxylate

C8H13NO3S — CID 11009022

IUPACmethyl (4R)-3-formyl-2,2-dimethyl-1,3-thiazolidine-4-carboxylate
SMILESCOC(=O)[C@@H]1CSC(C)(C)N1C=O
InChIInChI=1S/C8H13NO3S/c1-8(2)9(5-10)6(4-13-8)7(11)12-3/h5-6H,4H2,1-3H3/t6-/m0/s1
InChIKeyUFNGRIIHGPLSPT-LURJTMIESA-N
MW203.26 g/mol
LogP0.47
Rot. Bonds2

About methyl (4R)-3-formyl-2,2-dimethyl-1,3-thiazolidine-4-carboxylate

methyl (4R)-3-formyl-2,2-dimethyl-1,3-thiazolidine-4-carboxylate (PubChem CID 11009022) has the molecular formula C8H13NO3S and a molecular weight of 203.26 g/mol. Its IUPAC name is methyl (4R)-3-formyl-2,2-dimethyl-1,3-thiazolidine-4-carboxylate.

Molecular Properties

Compound Namemethyl (4R)-3-formyl-2,2-dimethyl-1,3-thiazolidine-4-carboxylate
PubChem CID11009022
Molecular FormulaC8H13NO3S
Molecular Weight203.26 g/mol
Exact Mass203.06
IUPAC Namemethyl (4R)-3-formyl-2,2-dimethyl-1,3-thiazolidine-4-carboxylate
SMILESCOC(=O)[C@@H]1CSC(C)(C)N1C=O
InChIInChI=1S/C8H13NO3S/c1-8(2)9(5-10)6(4-13-8)7(11)12-3/h5-6H,4H2,1-3H3/t6-/m0/s1
InChIKeyUFNGRIIHGPLSPT-LURJTMIESA-N
XLogP0.47
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.26
LogP ≤ 50.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-Formyl-2,2-dimethylthiazolidine-4-carboxylic acid
CID 2786994
3-Formyl-2,2,5-trimethyl-1,3-thiazolidine-4-carboxylic acid
CID 99971
methyl (4R)-3-propanoyl-2-sulfanylidene-1,3-thiazolidine-4-carboxylate
CID 359471
methyl (2R,4R)-2-tert-butyl-4-ethyl-3-formyl-1,3-thiazolidine-4-carboxylate
CID 21728024
(R)-3-Formyl-2,2-dimethylthiazolidine-4-carboxylic acid
CID 724082
methyl (2R,4R)-2-tert-butyl-3-formyl-1,3-thiazolidine-4-carboxylate
CID 10900479
methyl (2R,4R)-2-tert-butyl-3-formyl-4-methyl-1,3-thiazolidine-4-carboxylate
CID 11139397
Methyl 3-acetyl-1,3-thiazolidine-4-carboxylate
CID 70567228
methyl (4R,5S)-3-acetyl-5-fluoro-2,2-dimethyl-1,3-thiazolidine-4-carboxylate
CID 101146865
Methyl 3-(chlorocarbonyl)thiazolidine-4-carboxylate
CID 3023680
Ethyl 3-acetyl-1,3-thiazolidine-4-carboxylate
CID 343860
Thiazolidine-4-carboxylic acid, 2-t-butyl-3-formyl-, methyl ester, cis-
CID 589815

Frequently Asked Questions

What is the IUPAC name of methyl (4R)-3-formyl-2,2-dimethyl-1,3-thiazolidine-4-carboxylate?
The IUPAC name of methyl (4R)-3-formyl-2,2-dimethyl-1,3-thiazolidine-4-carboxylate (CID 11009022) is methyl (4R)-3-formyl-2,2-dimethyl-1,3-thiazolidine-4-carboxylate.
What is the SMILES notation for methyl (4R)-3-formyl-2,2-dimethyl-1,3-thiazolidine-4-carboxylate?
The canonical SMILES for methyl (4R)-3-formyl-2,2-dimethyl-1,3-thiazolidine-4-carboxylate is COC(=O)[C@@H]1CSC(C)(C)N1C=O.
What is the InChIKey of methyl (4R)-3-formyl-2,2-dimethyl-1,3-thiazolidine-4-carboxylate?
The InChIKey is UFNGRIIHGPLSPT-LURJTMIESA-N. The full InChI is InChI=1S/C8H13NO3S/c1-8(2)9(5-10)6(4-13-8)7(11)12-3/h5-6H,4H2,1-3H3/t6-/m0/s1.
What are the key properties of methyl (4R)-3-formyl-2,2-dimethyl-1,3-thiazolidine-4-carboxylate?
methyl (4R)-3-formyl-2,2-dimethyl-1,3-thiazolidine-4-carboxylate has a molecular weight of 203.26 g/mol, XLogP of 0.47, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (4R)-3-formyl-2,2-dimethyl-1,3-thiazolidine-4-carboxylate is sourced from PubChem (CID 11009022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).