methyl (4R)-1,3-thiazolidine-4-carboxylate

C5H9NO2S — CID 845041

IUPACmethyl (4R)-1,3-thiazolidine-4-carboxylate
SMILESCOC(=O)[C@@H]1CSCN1
InChIInChI=1S/C5H9NO2S/c1-8-5(7)4-2-9-3-6-4/h4,6H,2-3H2,1H3/t4-/m0/s1
InChIKeyNHBNAVLHRAPNKY-BYPYZUCNSA-N
MW147.20 g/mol
LogP-0.18
Rot. Bonds1

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

methyl (4R)-1,3-thiazolidine-4-carboxylate (PubChem CID 845041) has the molecular formula C5H9NO2S and a molecular weight of 147.20 g/mol. Its IUPAC name is methyl (4R)-1,3-thiazolidine-4-carboxylate.

Molecular Properties

Compound Namemethyl (4R)-1,3-thiazolidine-4-carboxylate
PubChem CID845041
Molecular FormulaC5H9NO2S
Molecular Weight147.20 g/mol
Exact Mass147.04
IUPAC Namemethyl (4R)-1,3-thiazolidine-4-carboxylate
SMILESCOC(=O)[C@@H]1CSCN1
InChIInChI=1S/C5H9NO2S/c1-8-5(7)4-2-9-3-6-4/h4,6H,2-3H2,1H3/t4-/m0/s1
InChIKeyNHBNAVLHRAPNKY-BYPYZUCNSA-N
XLogP-0.18
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500147.20
LogP ≤ 5-0.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl (4R)-1,3-thiazolidine-4-carboxylate?
The IUPAC name of methyl (4R)-1,3-thiazolidine-4-carboxylate (CID 845041) is methyl (4R)-1,3-thiazolidine-4-carboxylate.
What is the SMILES notation for methyl (4R)-1,3-thiazolidine-4-carboxylate?
The canonical SMILES for methyl (4R)-1,3-thiazolidine-4-carboxylate is COC(=O)[C@@H]1CSCN1.
What is the InChIKey of methyl (4R)-1,3-thiazolidine-4-carboxylate?
The InChIKey is NHBNAVLHRAPNKY-BYPYZUCNSA-N. The full InChI is InChI=1S/C5H9NO2S/c1-8-5(7)4-2-9-3-6-4/h4,6H,2-3H2,1H3/t4-/m0/s1.
What are the key properties of methyl (4R)-1,3-thiazolidine-4-carboxylate?
methyl (4R)-1,3-thiazolidine-4-carboxylate has a molecular weight of 147.20 g/mol, XLogP of -0.18, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (4R)-1,3-thiazolidine-4-carboxylate is sourced from PubChem (CID 845041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).