(2R,4R)-2-methyl-3-[(2-methylpropan-2-yl)oxycarbonyl]-1,3-thiazolidine-4-carboxylic acid

C10H17NO4S — CID 10658131

IUPAC(2R,4R)-2-methyl-3-[(2-methylpropan-2-yl)oxycarbonyl]-1,3-thiazolidine-4-carboxylic acid
SMILESC[C@H]1SC[C@@H](C(=O)O)N1C(=O)OC(C)(C)C
InChIInChI=1S/C10H17NO4S/c1-6-11(7(5-16-6)8(12)13)9(14)15-10(2,3)4/h6-7H,5H2,1-4H3,(H,12,13)/t6-,7+/m1/s1
InChIKeyIGLUKFNPDYXRDD-RQJHMYQMSA-N
MW247.32 g/mol
LogP1.77
Rot. Bonds1

About (2R,4R)-2-methyl-3-[(2-methylpropan-2-yl)oxycarbonyl]-1,3-thiazolidine-4-carboxylic acid

(2R,4R)-2-methyl-3-[(2-methylpropan-2-yl)oxycarbonyl]-1,3-thiazolidine-4-carboxylic acid (PubChem CID 10658131) has the molecular formula C10H17NO4S and a molecular weight of 247.32 g/mol. Its IUPAC name is (2R,4R)-2-methyl-3-[(2-methylpropan-2-yl)oxycarbonyl]-1,3-thiazolidine-4-carboxylic acid.

Molecular Properties

Compound Name(2R,4R)-2-methyl-3-[(2-methylpropan-2-yl)oxycarbonyl]-1,3-thiazolidine-4-carboxylic acid
PubChem CID10658131
Molecular FormulaC10H17NO4S
Molecular Weight247.32 g/mol
Exact Mass247.09
IUPAC Name(2R,4R)-2-methyl-3-[(2-methylpropan-2-yl)oxycarbonyl]-1,3-thiazolidine-4-carboxylic acid
SMILESC[C@H]1SC[C@@H](C(=O)O)N1C(=O)OC(C)(C)C
InChIInChI=1S/C10H17NO4S/c1-6-11(7(5-16-6)8(12)13)9(14)15-10(2,3)4/h6-7H,5H2,1-4H3,(H,12,13)/t6-,7+/m1/s1
InChIKeyIGLUKFNPDYXRDD-RQJHMYQMSA-N
XLogP1.77
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.32
LogP ≤ 51.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

Telmesteine
CID 65946
(4R)-3-[(tert-butoxy)carbonyl]-1,3-thiazolidine-4-carboxylic acid
CID 688405
3-(1,1-Dimethylethyl) 3,4-thiazolidinedicarboxylate
CID 5147014
3-(Ethoxycarbonyl)-1,3-thiazolidine-4-carboxylic acid
CID 11615393
(4R)-3-[(2S)-2-acetylsulfanylpropanoyl]-1,3-thiazolidine-4-carboxylic acid
CID 13599153
(4S)-3-[(tert-butoxy)carbonyl]-1,3-thiazolidine-4-carboxylic acid
CID 688406
4-(tert-Butoxycarbonyl)thiomorpholine-3-carboxylic acid
CID 2756831
(S)-3-Boc-thiazolidine-2-carboxylic acid
CID 14775612
(2R)-3-(tert-Butoxycarbonyl)-1,3-thiazolidine-2-carboxylic acid
CID 16218805
(4R)-3-[(tert-butoxy)carbonyl]-1,1-dioxo-1lambda6,3-thiazolidine-4-carboxylic acid
CID 60114824
3-Methyl-4-[(2-methylpropan-2-yl)oxycarbonyl]thiomorpholine-3-carboxylic acid
CID 91045523
(4R)-3-[(2R)-2-acetylsulfanylpropanoyl]-1,3-thiazolidine-4-carboxylic acid
CID 13599154

Frequently Asked Questions

What is the IUPAC name of (2R,4R)-2-methyl-3-[(2-methylpropan-2-yl)oxycarbonyl]-1,3-thiazolidine-4-carboxylic acid?
The IUPAC name of (2R,4R)-2-methyl-3-[(2-methylpropan-2-yl)oxycarbonyl]-1,3-thiazolidine-4-carboxylic acid (CID 10658131) is (2R,4R)-2-methyl-3-[(2-methylpropan-2-yl)oxycarbonyl]-1,3-thiazolidine-4-carboxylic acid.
What is the SMILES notation for (2R,4R)-2-methyl-3-[(2-methylpropan-2-yl)oxycarbonyl]-1,3-thiazolidine-4-carboxylic acid?
The canonical SMILES for (2R,4R)-2-methyl-3-[(2-methylpropan-2-yl)oxycarbonyl]-1,3-thiazolidine-4-carboxylic acid is C[C@H]1SC[C@@H](C(=O)O)N1C(=O)OC(C)(C)C.
What is the InChIKey of (2R,4R)-2-methyl-3-[(2-methylpropan-2-yl)oxycarbonyl]-1,3-thiazolidine-4-carboxylic acid?
The InChIKey is IGLUKFNPDYXRDD-RQJHMYQMSA-N. The full InChI is InChI=1S/C10H17NO4S/c1-6-11(7(5-16-6)8(12)13)9(14)15-10(2,3)4/h6-7H,5H2,1-4H3,(H,12,13)/t6-,7+/m1/s1.
What are the key properties of (2R,4R)-2-methyl-3-[(2-methylpropan-2-yl)oxycarbonyl]-1,3-thiazolidine-4-carboxylic acid?
(2R,4R)-2-methyl-3-[(2-methylpropan-2-yl)oxycarbonyl]-1,3-thiazolidine-4-carboxylic acid has a molecular weight of 247.32 g/mol, XLogP of 1.77, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,4R)-2-methyl-3-[(2-methylpropan-2-yl)oxycarbonyl]-1,3-thiazolidine-4-carboxylic acid is sourced from PubChem (CID 10658131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).