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

C10H17NO3S — CID 59896205

IUPACmethyl (2R)-2-tert-butyl-3-formyl-1,3-thiazolidine-4-carboxylate
SMILESCOC(=O)C1CS[C@H](C(C)(C)C)N1C=O
InChIInChI=1S/C10H17NO3S/c1-10(2,3)9-11(6-12)7(5-15-9)8(13)14-4/h6-7,9H,5H2,1-4H3/t7?,9-/m1/s1
InChIKeyYHMVCGMRDPFPRT-NHSZFOGYSA-N
MW231.32 g/mol
LogP1.11
Rot. Bonds2

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

methyl (2R)-2-tert-butyl-3-formyl-1,3-thiazolidine-4-carboxylate (PubChem CID 59896205) has the molecular formula C10H17NO3S and a molecular weight of 231.32 g/mol. Its IUPAC name is methyl (2R)-2-tert-butyl-3-formyl-1,3-thiazolidine-4-carboxylate.

Molecular Properties

Compound Namemethyl (2R)-2-tert-butyl-3-formyl-1,3-thiazolidine-4-carboxylate
PubChem CID59896205
Molecular FormulaC10H17NO3S
Molecular Weight231.32 g/mol
Exact Mass231.09
IUPAC Namemethyl (2R)-2-tert-butyl-3-formyl-1,3-thiazolidine-4-carboxylate
SMILESCOC(=O)C1CS[C@H](C(C)(C)C)N1C=O
InChIInChI=1S/C10H17NO3S/c1-10(2,3)9-11(6-12)7(5-15-9)8(13)14-4/h6-7,9H,5H2,1-4H3/t7?,9-/m1/s1
InChIKeyYHMVCGMRDPFPRT-NHSZFOGYSA-N
XLogP1.11
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.32
LogP ≤ 51.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of methyl (2R)-2-tert-butyl-3-formyl-1,3-thiazolidine-4-carboxylate?
The IUPAC name of methyl (2R)-2-tert-butyl-3-formyl-1,3-thiazolidine-4-carboxylate (CID 59896205) is methyl (2R)-2-tert-butyl-3-formyl-1,3-thiazolidine-4-carboxylate.
What is the SMILES notation for methyl (2R)-2-tert-butyl-3-formyl-1,3-thiazolidine-4-carboxylate?
The canonical SMILES for methyl (2R)-2-tert-butyl-3-formyl-1,3-thiazolidine-4-carboxylate is COC(=O)C1CS[C@H](C(C)(C)C)N1C=O.
What is the InChIKey of methyl (2R)-2-tert-butyl-3-formyl-1,3-thiazolidine-4-carboxylate?
The InChIKey is YHMVCGMRDPFPRT-NHSZFOGYSA-N. The full InChI is InChI=1S/C10H17NO3S/c1-10(2,3)9-11(6-12)7(5-15-9)8(13)14-4/h6-7,9H,5H2,1-4H3/t7?,9-/m1/s1.
What are the key properties of methyl (2R)-2-tert-butyl-3-formyl-1,3-thiazolidine-4-carboxylate?
methyl (2R)-2-tert-butyl-3-formyl-1,3-thiazolidine-4-carboxylate has a molecular weight of 231.32 g/mol, XLogP of 1.11, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2R)-2-tert-butyl-3-formyl-1,3-thiazolidine-4-carboxylate is sourced from PubChem (CID 59896205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).