(4R)-3-(2-amino-2-ethylbutanoyl)-1,3-thiazolidine-4-carboxylic acid

C10H18N2O3S — CID 79814048

IUPAC(4R)-3-(2-amino-2-ethylbutanoyl)-1,3-thiazolidine-4-carboxylic acid
SMILESCCC(N)(CC)C(=O)N1CSC[C@H]1C(=O)O
InChIInChI=1S/C10H18N2O3S/c1-3-10(11,4-2)9(15)12-6-16-5-7(12)8(13)14/h7H,3-6,11H2,1-2H3,(H,13,14)/t7-/m0/s1
InChIKeySKVSKMVKZJWQEV-ZETCQYMHSA-N
MW246.33 g/mol
LogP0.49
Rot. Bonds4

About (4R)-3-(2-amino-2-ethylbutanoyl)-1,3-thiazolidine-4-carboxylic acid

(4R)-3-(2-amino-2-ethylbutanoyl)-1,3-thiazolidine-4-carboxylic acid (PubChem CID 79814048) has the molecular formula C10H18N2O3S and a molecular weight of 246.33 g/mol. Its IUPAC name is (4R)-3-(2-amino-2-ethylbutanoyl)-1,3-thiazolidine-4-carboxylic acid.

Molecular Properties

Compound Name(4R)-3-(2-amino-2-ethylbutanoyl)-1,3-thiazolidine-4-carboxylic acid
PubChem CID79814048
Molecular FormulaC10H18N2O3S
Molecular Weight246.33 g/mol
Exact Mass246.10
IUPAC Name(4R)-3-(2-amino-2-ethylbutanoyl)-1,3-thiazolidine-4-carboxylic acid
SMILESCCC(N)(CC)C(=O)N1CSC[C@H]1C(=O)O
InChIInChI=1S/C10H18N2O3S/c1-3-10(11,4-2)9(15)12-6-16-5-7(12)8(13)14/h7H,3-6,11H2,1-2H3,(H,13,14)/t7-/m0/s1
InChIKeySKVSKMVKZJWQEV-ZETCQYMHSA-N
XLogP0.49
TPSA83.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.33
LogP ≤ 50.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze (4R)-3-(2-amino-2-ethylbutanoyl)-1,3-thiazolidine-4-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(4R)-3-(2-chloro-2,2-difluoroacetyl)-1,3-thiazolidine-4-carboxylic acid
CID 53215684
(4R)-3-(2-aminoacetyl)-1,3-thiazolidine-4-carboxylic acid
CID 61161157
3-(2-ethylbutanoyl)-1,3-thiazolidine-4-carboxylic acid
CID 24702600
3-(3-aminopropanoyl)-1,3-thiazolidine-4-carboxylic acid
CID 61157082
3-(2-amino-3-methylpentanoyl)-1,3-thiazolidine-4-carboxylic acid
CID 61157451
3-acetyl-1,3-thiazolidine-4-carboxylic acid;1,3,5,7-tetrazatricyclo[3.3.1.13,7]decane
CID 13254309
(4R)-3-(2-chloroacetyl)-1,3-thiazolidine-4-carboxylic acid
CID 93494384
(4R)-3-[(2-methylpropan-2-yl)oxycarbonyl]-1,3-thiazolidine-4-carboxylic acid
CID 688405
3-(1-aminocyclopropanecarbonyl)-1,3-thiazolidine-4-carboxylic acid
CID 65466419
3-(4-amino-2-methylbutanoyl)-1,3-thiazolidine-4-carboxylic acid
CID 80542987
(4R)-3-[3-(ethylamino)propanoyl]-1,3-thiazolidine-4-carboxylic acid
CID 62837022
3-[(2-ethoxy-2-oxoethyl)-methylcarbamoyl]-1,3-thiazolidine-4-carboxylic acid
CID 54969155

Frequently Asked Questions

What is the IUPAC name of (4R)-3-(2-amino-2-ethylbutanoyl)-1,3-thiazolidine-4-carboxylic acid?
The IUPAC name of (4R)-3-(2-amino-2-ethylbutanoyl)-1,3-thiazolidine-4-carboxylic acid (CID 79814048) is (4R)-3-(2-amino-2-ethylbutanoyl)-1,3-thiazolidine-4-carboxylic acid.
What is the SMILES notation for (4R)-3-(2-amino-2-ethylbutanoyl)-1,3-thiazolidine-4-carboxylic acid?
The canonical SMILES for (4R)-3-(2-amino-2-ethylbutanoyl)-1,3-thiazolidine-4-carboxylic acid is CCC(N)(CC)C(=O)N1CSC[C@H]1C(=O)O.
What is the InChIKey of (4R)-3-(2-amino-2-ethylbutanoyl)-1,3-thiazolidine-4-carboxylic acid?
The InChIKey is SKVSKMVKZJWQEV-ZETCQYMHSA-N. The full InChI is InChI=1S/C10H18N2O3S/c1-3-10(11,4-2)9(15)12-6-16-5-7(12)8(13)14/h7H,3-6,11H2,1-2H3,(H,13,14)/t7-/m0/s1.
What are the key properties of (4R)-3-(2-amino-2-ethylbutanoyl)-1,3-thiazolidine-4-carboxylic acid?
(4R)-3-(2-amino-2-ethylbutanoyl)-1,3-thiazolidine-4-carboxylic acid has a molecular weight of 246.33 g/mol, XLogP of 0.49, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-3-(2-amino-2-ethylbutanoyl)-1,3-thiazolidine-4-carboxylic acid is sourced from PubChem (CID 79814048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).