2-[2-methoxy-1-(methylamino)-2-oxoethyl]-5,5-dimethyl-1,3-thiazolidine-4-carboxylate

C10H17N2O4S- — CID 58672523

IUPAC2-[2-methoxy-1-(methylamino)-2-oxoethyl]-5,5-dimethyl-1,3-thiazolidine-4-carboxylate
SMILESCNC(C(=O)OC)C1NC(C(=O)[O-])C(C)(C)S1
InChIInChI=1S/C10H18N2O4S/c1-10(2)6(8(13)14)12-7(17-10)5(11-3)9(15)16-4/h5-7,11-12H,1-4H3,(H,13,14)/p-1
InChIKeyQOYYKFIOWFZAFE-UHFFFAOYSA-M
MW261.32 g/mol
LogP-1.69
Rot. Bonds4

About 2-[2-methoxy-1-(methylamino)-2-oxoethyl]-5,5-dimethyl-1,3-thiazolidine-4-carboxylate

2-[2-methoxy-1-(methylamino)-2-oxoethyl]-5,5-dimethyl-1,3-thiazolidine-4-carboxylate (PubChem CID 58672523) has the molecular formula C10H17N2O4S- and a molecular weight of 261.32 g/mol. Its IUPAC name is 2-[2-methoxy-1-(methylamino)-2-oxoethyl]-5,5-dimethyl-1,3-thiazolidine-4-carboxylate.

Molecular Properties

Compound Name2-[2-methoxy-1-(methylamino)-2-oxoethyl]-5,5-dimethyl-1,3-thiazolidine-4-carboxylate
PubChem CID58672523
Molecular FormulaC10H17N2O4S-
Molecular Weight261.32 g/mol
Exact Mass261.09
IUPAC Name2-[2-methoxy-1-(methylamino)-2-oxoethyl]-5,5-dimethyl-1,3-thiazolidine-4-carboxylate
SMILESCNC(C(=O)OC)C1NC(C(=O)[O-])C(C)(C)S1
InChIInChI=1S/C10H18N2O4S/c1-10(2)6(8(13)14)12-7(17-10)5(11-3)9(15)16-4/h5-7,11-12H,1-4H3,(H,13,14)/p-1
InChIKeyQOYYKFIOWFZAFE-UHFFFAOYSA-M
XLogP-1.69
TPSA90.49 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.32
LogP ≤ 5-1.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

Penicilloic acid
CID 52921568
2-(Amino(carboxy)methyl)-5,5-dimethylthiazolidine-4-carboxylic acid
CID 12548074
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
Penicillin Impurity 1
CID 21854441
(2R,4S)-2-[(R)-carboxy-(propanoylamino)methyl]-5,5-dimethyl-1,3-thiazolidine-4-carboxylic acid
CID 24880021
2-[(2R,4R)-2-methoxycarbonyl-5,5-dimethyl-1,3-thiazolidin-4-yl]acetic acid
CID 10704794
dimethyl (2S,4S)-5,5-dimethyl-1,3-thiazolidine-2,4-dicarboxylate
CID 101020864
dimethyl (2R,4S)-5,5-dimethyl-1,3-thiazolidine-2,4-dicarboxylate
CID 101020865
[(R)-carboxy (formamido)methyl]-5,5-dimethyl-1,3-thiazolidine-4-carboxylic acid
CID 176514616

Frequently Asked Questions

What is the IUPAC name of 2-[2-methoxy-1-(methylamino)-2-oxoethyl]-5,5-dimethyl-1,3-thiazolidine-4-carboxylate?
The IUPAC name of 2-[2-methoxy-1-(methylamino)-2-oxoethyl]-5,5-dimethyl-1,3-thiazolidine-4-carboxylate (CID 58672523) is 2-[2-methoxy-1-(methylamino)-2-oxoethyl]-5,5-dimethyl-1,3-thiazolidine-4-carboxylate.
What is the SMILES notation for 2-[2-methoxy-1-(methylamino)-2-oxoethyl]-5,5-dimethyl-1,3-thiazolidine-4-carboxylate?
The canonical SMILES for 2-[2-methoxy-1-(methylamino)-2-oxoethyl]-5,5-dimethyl-1,3-thiazolidine-4-carboxylate is CNC(C(=O)OC)C1NC(C(=O)[O-])C(C)(C)S1.
What is the InChIKey of 2-[2-methoxy-1-(methylamino)-2-oxoethyl]-5,5-dimethyl-1,3-thiazolidine-4-carboxylate?
The InChIKey is QOYYKFIOWFZAFE-UHFFFAOYSA-M. The full InChI is InChI=1S/C10H18N2O4S/c1-10(2)6(8(13)14)12-7(17-10)5(11-3)9(15)16-4/h5-7,11-12H,1-4H3,(H,13,14)/p-1.
What are the key properties of 2-[2-methoxy-1-(methylamino)-2-oxoethyl]-5,5-dimethyl-1,3-thiazolidine-4-carboxylate?
2-[2-methoxy-1-(methylamino)-2-oxoethyl]-5,5-dimethyl-1,3-thiazolidine-4-carboxylate has a molecular weight of 261.32 g/mol, XLogP of -1.69, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-methoxy-1-(methylamino)-2-oxoethyl]-5,5-dimethyl-1,3-thiazolidine-4-carboxylate is sourced from PubChem (CID 58672523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).