tert-butyl 3-[(3-formyl-2,2,5,5-tetramethyl-1,3-thiazolidine-4-carbonyl)amino]propanoate

C16H28N2O4S — CID 58108293

IUPACtert-butyl 3-[(3-formyl-2,2,5,5-tetramethyl-1,3-thiazolidine-4-carbonyl)amino]propanoate
SMILESCC(C)(C)OC(=O)CCNC(=O)C1N(C=O)C(C)(C)SC1(C)C
InChIInChI=1S/C16H28N2O4S/c1-14(2,3)22-11(20)8-9-17-13(21)12-15(4,5)23-16(6,7)18(12)10-19/h10,12H,8-9H2,1-7H3,(H,17,21)
InChIKeyYVKZMAWTRGWOTM-UHFFFAOYSA-N
MW344.48 g/mol
LogP1.92
Rot. Bonds5

About tert-butyl 3-[(3-formyl-2,2,5,5-tetramethyl-1,3-thiazolidine-4-carbonyl)amino]propanoate

tert-butyl 3-[(3-formyl-2,2,5,5-tetramethyl-1,3-thiazolidine-4-carbonyl)amino]propanoate (PubChem CID 58108293) has the molecular formula C16H28N2O4S and a molecular weight of 344.48 g/mol. Its IUPAC name is tert-butyl 3-[(3-formyl-2,2,5,5-tetramethyl-1,3-thiazolidine-4-carbonyl)amino]propanoate.

Molecular Properties

Compound Nametert-butyl 3-[(3-formyl-2,2,5,5-tetramethyl-1,3-thiazolidine-4-carbonyl)amino]propanoate
PubChem CID58108293
Molecular FormulaC16H28N2O4S
Molecular Weight344.48 g/mol
Exact Mass344.18
IUPAC Nametert-butyl 3-[(3-formyl-2,2,5,5-tetramethyl-1,3-thiazolidine-4-carbonyl)amino]propanoate
SMILESCC(C)(C)OC(=O)CCNC(=O)C1N(C=O)C(C)(C)SC1(C)C
InChIInChI=1S/C16H28N2O4S/c1-14(2,3)22-11(20)8-9-17-13(21)12-15(4,5)23-16(6,7)18(12)10-19/h10,12H,8-9H2,1-7H3,(H,17,21)
InChIKeyYVKZMAWTRGWOTM-UHFFFAOYSA-N
XLogP1.92
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.48
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of tert-butyl 3-[(3-formyl-2,2,5,5-tetramethyl-1,3-thiazolidine-4-carbonyl)amino]propanoate?
The IUPAC name of tert-butyl 3-[(3-formyl-2,2,5,5-tetramethyl-1,3-thiazolidine-4-carbonyl)amino]propanoate (CID 58108293) is tert-butyl 3-[(3-formyl-2,2,5,5-tetramethyl-1,3-thiazolidine-4-carbonyl)amino]propanoate.
What is the SMILES notation for tert-butyl 3-[(3-formyl-2,2,5,5-tetramethyl-1,3-thiazolidine-4-carbonyl)amino]propanoate?
The canonical SMILES for tert-butyl 3-[(3-formyl-2,2,5,5-tetramethyl-1,3-thiazolidine-4-carbonyl)amino]propanoate is CC(C)(C)OC(=O)CCNC(=O)C1N(C=O)C(C)(C)SC1(C)C.
What is the InChIKey of tert-butyl 3-[(3-formyl-2,2,5,5-tetramethyl-1,3-thiazolidine-4-carbonyl)amino]propanoate?
The InChIKey is YVKZMAWTRGWOTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N2O4S/c1-14(2,3)22-11(20)8-9-17-13(21)12-15(4,5)23-16(6,7)18(12)10-19/h10,12H,8-9H2,1-7H3,(H,17,21).
What are the key properties of tert-butyl 3-[(3-formyl-2,2,5,5-tetramethyl-1,3-thiazolidine-4-carbonyl)amino]propanoate?
tert-butyl 3-[(3-formyl-2,2,5,5-tetramethyl-1,3-thiazolidine-4-carbonyl)amino]propanoate has a molecular weight of 344.48 g/mol, XLogP of 1.92, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 3-[(3-formyl-2,2,5,5-tetramethyl-1,3-thiazolidine-4-carbonyl)amino]propanoate is sourced from PubChem (CID 58108293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).