(4R)-2-methoxycarbonyl-2-(2-methylpropyl)-1,3-thiazolidine-4-carboxylic acid

C10H17NO4S — CID 166067406

IUPAC(4R)-2-methoxycarbonyl-2-(2-methylpropyl)-1,3-thiazolidine-4-carboxylic acid
SMILESCOC(=O)C1(CC(C)C)N[C@H](C(=O)O)CS1
InChIInChI=1S/C10H17NO4S/c1-6(2)4-10(9(14)15-3)11-7(5-16-10)8(12)13/h6-7,11H,4-5H2,1-3H3,(H,12,13)/t7-,10?/m0/s1
InChIKeyJDJSMZZHKZLBOB-BYDSUWOYSA-N
MW247.32 g/mol
LogP0.69
Rot. Bonds4

About (4R)-2-methoxycarbonyl-2-(2-methylpropyl)-1,3-thiazolidine-4-carboxylic acid

(4R)-2-methoxycarbonyl-2-(2-methylpropyl)-1,3-thiazolidine-4-carboxylic acid (PubChem CID 166067406) has the molecular formula C10H17NO4S and a molecular weight of 247.32 g/mol. Its IUPAC name is (4R)-2-methoxycarbonyl-2-(2-methylpropyl)-1,3-thiazolidine-4-carboxylic acid.

Molecular Properties

Compound Name(4R)-2-methoxycarbonyl-2-(2-methylpropyl)-1,3-thiazolidine-4-carboxylic acid
PubChem CID166067406
Molecular FormulaC10H17NO4S
Molecular Weight247.32 g/mol
Exact Mass247.09
IUPAC Name(4R)-2-methoxycarbonyl-2-(2-methylpropyl)-1,3-thiazolidine-4-carboxylic acid
SMILESCOC(=O)C1(CC(C)C)N[C@H](C(=O)O)CS1
InChIInChI=1S/C10H17NO4S/c1-6(2)4-10(9(14)15-3)11-7(5-16-10)8(12)13/h6-7,11H,4-5H2,1-3H3,(H,12,13)/t7-,10?/m0/s1
InChIKeyJDJSMZZHKZLBOB-BYDSUWOYSA-N
XLogP0.69
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.32
LogP ≤ 50.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

(2~{S},4~{S})-2-ethoxycarbonyl-5,5-dimethyl-2-(sulfanylmethyl)-1,3-thiazolidine-4-carboxylic acid
CID 155295725
2-Isopropyl-5,5-dimethylthiazolidine-4-carboxylic acid
CID 98398
(2~{S},4~{R})-2-ethoxycarbonyl-5,5-dimethyl-2-(sulfanylmethyl)-1,3-thiazolidine-4-carboxylic acid
CID 155295724
2-(1,1-Dioxo-tetrahydro-1lambda*6*-thiophen-3-ylamino)-4-methyl-pentanoic acid
CID 2772258
(2S,4R)-2-methoxycarbonyl-5,5-dimethyl-2-(sulfanylmethyl)-1,3-thiazolidine-4-carboxylic acid
CID 172442491
4-Thiazolidinecarboxylic acid, 5,5-dimethyl-2-(1-methylethyl)-, hydrochloride (1:1)
CID 3014730
2-(1-Ethylpropyl)-4-thiazolidenecarboxylic acid
CID 327447
2-[(2R,4R)-2-methoxycarbonyl-5,5-dimethyl-1,3-thiazolidin-4-yl]acetic acid
CID 10704794
4-Thiazolidinecarboxylic acid, 2-hexyl-5,5-dimethyl-
CID 594774
methyl (4R)-2-(2-methylpropyl)-1,3-thiazolidine-4-carboxylate
CID 14943673
4-(3-Methylbutylsulfanyl)pyrrolidine-2-carboxylic acid
CID 18446353
methyl 4-methyl-2-[[(2S)-thian-2-yl]amino]pentanoate
CID 18654159

Frequently Asked Questions

What is the IUPAC name of (4R)-2-methoxycarbonyl-2-(2-methylpropyl)-1,3-thiazolidine-4-carboxylic acid?
The IUPAC name of (4R)-2-methoxycarbonyl-2-(2-methylpropyl)-1,3-thiazolidine-4-carboxylic acid (CID 166067406) is (4R)-2-methoxycarbonyl-2-(2-methylpropyl)-1,3-thiazolidine-4-carboxylic acid.
What is the SMILES notation for (4R)-2-methoxycarbonyl-2-(2-methylpropyl)-1,3-thiazolidine-4-carboxylic acid?
The canonical SMILES for (4R)-2-methoxycarbonyl-2-(2-methylpropyl)-1,3-thiazolidine-4-carboxylic acid is COC(=O)C1(CC(C)C)N[C@H](C(=O)O)CS1.
What is the InChIKey of (4R)-2-methoxycarbonyl-2-(2-methylpropyl)-1,3-thiazolidine-4-carboxylic acid?
The InChIKey is JDJSMZZHKZLBOB-BYDSUWOYSA-N. The full InChI is InChI=1S/C10H17NO4S/c1-6(2)4-10(9(14)15-3)11-7(5-16-10)8(12)13/h6-7,11H,4-5H2,1-3H3,(H,12,13)/t7-,10?/m0/s1.
What are the key properties of (4R)-2-methoxycarbonyl-2-(2-methylpropyl)-1,3-thiazolidine-4-carboxylic acid?
(4R)-2-methoxycarbonyl-2-(2-methylpropyl)-1,3-thiazolidine-4-carboxylic acid has a molecular weight of 247.32 g/mol, XLogP of 0.69, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-2-methoxycarbonyl-2-(2-methylpropyl)-1,3-thiazolidine-4-carboxylic acid is sourced from PubChem (CID 166067406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).