ethyl (4R)-2-(1-ethoxy-1-oxopropan-2-yl)-2-methyl-1,3-thiazolidine-4-carboxylate

C12H21NO4S — CID 14003869

IUPACethyl (4R)-2-(1-ethoxy-1-oxopropan-2-yl)-2-methyl-1,3-thiazolidine-4-carboxylate
SMILESCCOC(=O)C(C)C1(C)N[C@H](C(=O)OCC)CS1
InChIInChI=1S/C12H21NO4S/c1-5-16-10(14)8(3)12(4)13-9(7-18-12)11(15)17-6-2/h8-9,13H,5-7H2,1-4H3/t8?,9-,12?/m0/s1
InChIKeyQNWVFJWYLGUHRR-XEVUQIKYSA-N
MW275.37 g/mol
LogP1.17
Rot. Bonds5

About ethyl (4R)-2-(1-ethoxy-1-oxopropan-2-yl)-2-methyl-1,3-thiazolidine-4-carboxylate

ethyl (4R)-2-(1-ethoxy-1-oxopropan-2-yl)-2-methyl-1,3-thiazolidine-4-carboxylate (PubChem CID 14003869) has the molecular formula C12H21NO4S and a molecular weight of 275.37 g/mol. Its IUPAC name is ethyl (4R)-2-(1-ethoxy-1-oxopropan-2-yl)-2-methyl-1,3-thiazolidine-4-carboxylate.

Molecular Properties

Compound Nameethyl (4R)-2-(1-ethoxy-1-oxopropan-2-yl)-2-methyl-1,3-thiazolidine-4-carboxylate
PubChem CID14003869
Molecular FormulaC12H21NO4S
Molecular Weight275.37 g/mol
Exact Mass275.12
IUPAC Nameethyl (4R)-2-(1-ethoxy-1-oxopropan-2-yl)-2-methyl-1,3-thiazolidine-4-carboxylate
SMILESCCOC(=O)C(C)C1(C)N[C@H](C(=O)OCC)CS1
InChIInChI=1S/C12H21NO4S/c1-5-16-10(14)8(3)12(4)13-9(7-18-12)11(15)17-6-2/h8-9,13H,5-7H2,1-4H3/t8?,9-,12?/m0/s1
InChIKeyQNWVFJWYLGUHRR-XEVUQIKYSA-N
XLogP1.17
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.37
LogP ≤ 51.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-(2-Ethoxy-2-oxoethyl)-2,5,5-trimethyl-1,3-thiazolidine-4-carboxylic acid
CID 272755
(2~{S},4~{S})-2-ethoxycarbonyl-5,5-dimethyl-2-(sulfanylmethyl)-1,3-thiazolidine-4-carboxylic acid
CID 155295725
ethyl (4R)-2,2-dimethyl-1,3-thiazolidine-4-carboxylate
CID 11651510
2-(1-Carboxy-2-hydroxy-ethyl)-5,5-dimethyl-thiazolidine-4-carboxylic acid
CID 448697
(2~{S},4~{R})-2-ethoxycarbonyl-5,5-dimethyl-2-(sulfanylmethyl)-1,3-thiazolidine-4-carboxylic acid
CID 155295724
Ethyl 2-(2-ethoxy-1-formamido-2-oxo-ethyl)-5,5-dimethyl-thiazolidine-4-carboxylate
CID 504548
4-Thiazolidinecarboxylic acid, 2-(1,1-dimethylethyl)-, methyl ester
CID 589621
methyl (4S)-2-tert-butyl-1,3-thiazolidine-4-carboxylate
CID 10954656
methyl (4R)-2-tert-butyl-1,3-thiazolidine-4-carboxylate
CID 11542981
(2S)-2-[(2R,4S)-4-carboxy-5,5-dimethyl-1,3-thiazolidin-2-yl]-3-hydroxypropanoate
CID 5287670
2-[(2R,4R)-2-methoxycarbonyl-5,5-dimethyl-1,3-thiazolidin-4-yl]acetic acid
CID 10704794
methyl (2R,4R)-2-propan-2-yl-1,3-thiazolidine-4-carboxylate
CID 97184103

Frequently Asked Questions

What is the IUPAC name of ethyl (4R)-2-(1-ethoxy-1-oxopropan-2-yl)-2-methyl-1,3-thiazolidine-4-carboxylate?
The IUPAC name of ethyl (4R)-2-(1-ethoxy-1-oxopropan-2-yl)-2-methyl-1,3-thiazolidine-4-carboxylate (CID 14003869) is ethyl (4R)-2-(1-ethoxy-1-oxopropan-2-yl)-2-methyl-1,3-thiazolidine-4-carboxylate.
What is the SMILES notation for ethyl (4R)-2-(1-ethoxy-1-oxopropan-2-yl)-2-methyl-1,3-thiazolidine-4-carboxylate?
The canonical SMILES for ethyl (4R)-2-(1-ethoxy-1-oxopropan-2-yl)-2-methyl-1,3-thiazolidine-4-carboxylate is CCOC(=O)C(C)C1(C)N[C@H](C(=O)OCC)CS1.
What is the InChIKey of ethyl (4R)-2-(1-ethoxy-1-oxopropan-2-yl)-2-methyl-1,3-thiazolidine-4-carboxylate?
The InChIKey is QNWVFJWYLGUHRR-XEVUQIKYSA-N. The full InChI is InChI=1S/C12H21NO4S/c1-5-16-10(14)8(3)12(4)13-9(7-18-12)11(15)17-6-2/h8-9,13H,5-7H2,1-4H3/t8?,9-,12?/m0/s1.
What are the key properties of ethyl (4R)-2-(1-ethoxy-1-oxopropan-2-yl)-2-methyl-1,3-thiazolidine-4-carboxylate?
ethyl (4R)-2-(1-ethoxy-1-oxopropan-2-yl)-2-methyl-1,3-thiazolidine-4-carboxylate has a molecular weight of 275.37 g/mol, XLogP of 1.17, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (4R)-2-(1-ethoxy-1-oxopropan-2-yl)-2-methyl-1,3-thiazolidine-4-carboxylate is sourced from PubChem (CID 14003869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).