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

C15H26N2O4S — CID 10268430

IUPACtert-butyl 2-[[(4S)-3-formyl-2,2,5,5-tetramethyl-1,3-thiazolidine-4-carbonyl]amino]acetate
SMILESCC(C)(C)OC(=O)CNC(=O)[C@@H]1N(C=O)C(C)(C)SC1(C)C
InChIInChI=1S/C15H26N2O4S/c1-13(2,3)21-10(19)8-16-12(20)11-14(4,5)22-15(6,7)17(11)9-18/h9,11H,8H2,1-7H3,(H,16,20)/t11-/m0/s1
InChIKeyWADDHIROGSOJAX-NSHDSACASA-N
MW330.45 g/mol
LogP1.53
Rot. Bonds4

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

tert-butyl 2-[[(4S)-3-formyl-2,2,5,5-tetramethyl-1,3-thiazolidine-4-carbonyl]amino]acetate (PubChem CID 10268430) has the molecular formula C15H26N2O4S and a molecular weight of 330.45 g/mol. Its IUPAC name is tert-butyl 2-[[(4S)-3-formyl-2,2,5,5-tetramethyl-1,3-thiazolidine-4-carbonyl]amino]acetate.

Molecular Properties

Compound Nametert-butyl 2-[[(4S)-3-formyl-2,2,5,5-tetramethyl-1,3-thiazolidine-4-carbonyl]amino]acetate
PubChem CID10268430
Molecular FormulaC15H26N2O4S
Molecular Weight330.45 g/mol
Exact Mass330.16
IUPAC Nametert-butyl 2-[[(4S)-3-formyl-2,2,5,5-tetramethyl-1,3-thiazolidine-4-carbonyl]amino]acetate
SMILESCC(C)(C)OC(=O)CNC(=O)[C@@H]1N(C=O)C(C)(C)SC1(C)C
InChIInChI=1S/C15H26N2O4S/c1-13(2,3)21-10(19)8-16-12(20)11-14(4,5)22-15(6,7)17(11)9-18/h9,11H,8H2,1-7H3,(H,16,20)/t11-/m0/s1
InChIKeyWADDHIROGSOJAX-NSHDSACASA-N
XLogP1.53
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.45
LogP ≤ 51.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze tert-butyl 2-[[(4S)-3-formyl-2,2,5,5-tetramethyl-1,3-thiazolidine-4-carbonyl]amino]acetate with MolForge

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Related Compounds

tert-butyl 2-[[(4R)-2-oxothiazolidine-4-carbonyl]amino]acetate
CID 477574
Ethyl 2-(2-ethoxy-1-formamido-2-oxo-ethyl)-5,5-dimethyl-thiazolidine-4-carboxylate
CID 504548
tert-butyl 2-[[(4S)-3-formyl-2,2,5,5-tetramethyl-1,3-thiazolidine-4-carbonyl]amino]-2-methylpropanoate
CID 10291916
Methyl 2-[1-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]-1,3-thiazolidine-4-carboxylate
CID 134890772
Methyl 2-[(2,2,5,5-tetramethyl-1,3-thiazolidine-4-carbonyl)amino]acetate
CID 272756
Ethyl 2-[(3-formyl-2,2-dimethyl-1,3-thiazolidine-4-carbonyl)amino]acetate
CID 314848
Methyl 2-[(3-formyl-2,2-dimethyl-1,3-thiazolidine-4-carbonyl)amino]propanoate
CID 314849
Methyl 2-[(3-formyl-2,2-dimethyl-1,3-thiazolidine-4-carbonyl)amino]-4-methylsulfanylbutanoate
CID 314853
Methyl 2-[(3-formyl-2,2-dimethyl-1,3-thiazolidine-4-carbonyl)amino]acetate
CID 314857
Methyl N-(3-formyl-2,2-dimethyl-1,3-thiazolidine-4-carbonyl)isoleucinate
CID 314862
tert-butyl 2-[[(4S)-3-formyl-2,2,5,5-tetramethyl-1,3-thiazolidine-4-carbonyl]amino]-3-methylbutanoate
CID 10833114
methyl (2R,4R)-3-acetyl-2-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]-1,3-thiazolidine-4-carboxylate
CID 10958124

Frequently Asked Questions

What is the IUPAC name of tert-butyl 2-[[(4S)-3-formyl-2,2,5,5-tetramethyl-1,3-thiazolidine-4-carbonyl]amino]acetate?
The IUPAC name of tert-butyl 2-[[(4S)-3-formyl-2,2,5,5-tetramethyl-1,3-thiazolidine-4-carbonyl]amino]acetate (CID 10268430) is tert-butyl 2-[[(4S)-3-formyl-2,2,5,5-tetramethyl-1,3-thiazolidine-4-carbonyl]amino]acetate.
What is the SMILES notation for tert-butyl 2-[[(4S)-3-formyl-2,2,5,5-tetramethyl-1,3-thiazolidine-4-carbonyl]amino]acetate?
The canonical SMILES for tert-butyl 2-[[(4S)-3-formyl-2,2,5,5-tetramethyl-1,3-thiazolidine-4-carbonyl]amino]acetate is CC(C)(C)OC(=O)CNC(=O)[C@@H]1N(C=O)C(C)(C)SC1(C)C.
What is the InChIKey of tert-butyl 2-[[(4S)-3-formyl-2,2,5,5-tetramethyl-1,3-thiazolidine-4-carbonyl]amino]acetate?
The InChIKey is WADDHIROGSOJAX-NSHDSACASA-N. The full InChI is InChI=1S/C15H26N2O4S/c1-13(2,3)21-10(19)8-16-12(20)11-14(4,5)22-15(6,7)17(11)9-18/h9,11H,8H2,1-7H3,(H,16,20)/t11-/m0/s1.
What are the key properties of tert-butyl 2-[[(4S)-3-formyl-2,2,5,5-tetramethyl-1,3-thiazolidine-4-carbonyl]amino]acetate?
tert-butyl 2-[[(4S)-3-formyl-2,2,5,5-tetramethyl-1,3-thiazolidine-4-carbonyl]amino]acetate has a molecular weight of 330.45 g/mol, XLogP of 1.53, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 2-[[(4S)-3-formyl-2,2,5,5-tetramethyl-1,3-thiazolidine-4-carbonyl]amino]acetate is sourced from PubChem (CID 10268430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).