3-[2-(2-aminoethoxy)acetyl]-2-propan-2-yl-1,3-thiazolidine-4-carboxylic acid

C11H20N2O4S — CID 79479655

IUPAC3-[2-(2-aminoethoxy)acetyl]-2-propan-2-yl-1,3-thiazolidine-4-carboxylic acid
SMILESCC(C)C1SCC(C(=O)O)N1C(=O)COCCN
InChIInChI=1S/C11H20N2O4S/c1-7(2)10-13(8(6-18-10)11(15)16)9(14)5-17-4-3-12/h7-8,10H,3-6,12H2,1-2H3,(H,15,16)
InChIKeyDMRYKAFEJINZOG-UHFFFAOYSA-N
MW276.36 g/mol
LogP-0.03
Rot. Bonds6

About 3-[2-(2-aminoethoxy)acetyl]-2-propan-2-yl-1,3-thiazolidine-4-carboxylic acid

3-[2-(2-aminoethoxy)acetyl]-2-propan-2-yl-1,3-thiazolidine-4-carboxylic acid (PubChem CID 79479655) has the molecular formula C11H20N2O4S and a molecular weight of 276.36 g/mol. Its IUPAC name is 3-[2-(2-aminoethoxy)acetyl]-2-propan-2-yl-1,3-thiazolidine-4-carboxylic acid.

Molecular Properties

Compound Name3-[2-(2-aminoethoxy)acetyl]-2-propan-2-yl-1,3-thiazolidine-4-carboxylic acid
PubChem CID79479655
Molecular FormulaC11H20N2O4S
Molecular Weight276.36 g/mol
Exact Mass276.11
IUPAC Name3-[2-(2-aminoethoxy)acetyl]-2-propan-2-yl-1,3-thiazolidine-4-carboxylic acid
SMILESCC(C)C1SCC(C(=O)O)N1C(=O)COCCN
InChIInChI=1S/C11H20N2O4S/c1-7(2)10-13(8(6-18-10)11(15)16)9(14)5-17-4-3-12/h7-8,10H,3-6,12H2,1-2H3,(H,15,16)
InChIKeyDMRYKAFEJINZOG-UHFFFAOYSA-N
XLogP-0.03
TPSA92.86 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.36
LogP ≤ 5-0.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-[2-(2-methoxyethoxy)acetyl]-2-propan-2-yl-1,3-thiazolidine-4-carboxylic acid
CID 63781042
3-methoxycarbonyl-2-propan-2-yl-1,3-thiazolidine-4-carboxylic acid
CID 63781303
3-(3-aminopropylcarbamoyl)-2-propan-2-yl-1,3-thiazolidine-4-carboxylic acid
CID 55236303
3-[2-(1-aminocyclopentyl)acetyl]-2-propan-2-yl-1,3-thiazolidine-4-carboxylic acid
CID 64677874
3-(3-amino-2,2-dimethylpropanoyl)-2-propan-2-yl-1,3-thiazolidine-4-carboxylic acid
CID 113307662
3-[4-(methylamino)butanoyl]-2-propan-2-yl-1,3-thiazolidine-4-carboxylic acid
CID 55235899
3-[(E)-4-aminobut-2-enoyl]-2-propan-2-yl-1,3-thiazolidine-4-carboxylic acid
CID 112746829
3-[ethyl(1-methoxypropan-2-yl)carbamoyl]-2-propan-2-yl-1,3-thiazolidine-4-carboxylic acid
CID 63780098
3-(cyclopropylmethylcarbamoyl)-2-propan-2-yl-1,3-thiazolidine-4-carboxylic acid
CID 63792580
3-[2-(2-hydroxyphenyl)acetyl]-2-propan-2-yl-1,3-thiazolidine-4-carboxylic acid
CID 80721584
3-(2-methoxy-2-methylbutanoyl)-2-propan-2-yl-1,3-thiazolidine-4-carboxylic acid
CID 114105231
3-[2-(4-fluorophenyl)acetyl]-2-propan-2-yl-1,3-thiazolidine-4-carboxylic acid
CID 63780328

Frequently Asked Questions

What is the IUPAC name of 3-[2-(2-aminoethoxy)acetyl]-2-propan-2-yl-1,3-thiazolidine-4-carboxylic acid?
The IUPAC name of 3-[2-(2-aminoethoxy)acetyl]-2-propan-2-yl-1,3-thiazolidine-4-carboxylic acid (CID 79479655) is 3-[2-(2-aminoethoxy)acetyl]-2-propan-2-yl-1,3-thiazolidine-4-carboxylic acid.
What is the SMILES notation for 3-[2-(2-aminoethoxy)acetyl]-2-propan-2-yl-1,3-thiazolidine-4-carboxylic acid?
The canonical SMILES for 3-[2-(2-aminoethoxy)acetyl]-2-propan-2-yl-1,3-thiazolidine-4-carboxylic acid is CC(C)C1SCC(C(=O)O)N1C(=O)COCCN.
What is the InChIKey of 3-[2-(2-aminoethoxy)acetyl]-2-propan-2-yl-1,3-thiazolidine-4-carboxylic acid?
The InChIKey is DMRYKAFEJINZOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O4S/c1-7(2)10-13(8(6-18-10)11(15)16)9(14)5-17-4-3-12/h7-8,10H,3-6,12H2,1-2H3,(H,15,16).
What are the key properties of 3-[2-(2-aminoethoxy)acetyl]-2-propan-2-yl-1,3-thiazolidine-4-carboxylic acid?
3-[2-(2-aminoethoxy)acetyl]-2-propan-2-yl-1,3-thiazolidine-4-carboxylic acid has a molecular weight of 276.36 g/mol, XLogP of -0.03, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(2-aminoethoxy)acetyl]-2-propan-2-yl-1,3-thiazolidine-4-carboxylic acid is sourced from PubChem (CID 79479655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).