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

C17H30N2O4S — CID 10291916

IUPACtert-butyl 2-[[(4S)-3-formyl-2,2,5,5-tetramethyl-1,3-thiazolidine-4-carbonyl]amino]-2-methylpropanoate
SMILESCC(C)(C)OC(=O)C(C)(C)NC(=O)[C@@H]1N(C=O)C(C)(C)SC1(C)C
InChIInChI=1S/C17H30N2O4S/c1-14(2,3)23-13(22)15(4,5)18-12(21)11-16(6,7)24-17(8,9)19(11)10-20/h10-11H,1-9H3,(H,18,21)/t11-/m0/s1
InChIKeyCKQZGQGPSZSOIN-NSHDSACASA-N
MW358.50 g/mol
LogP2.31
Rot. Bonds4

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

tert-butyl 2-[[(4S)-3-formyl-2,2,5,5-tetramethyl-1,3-thiazolidine-4-carbonyl]amino]-2-methylpropanoate (PubChem CID 10291916) has the molecular formula C17H30N2O4S and a molecular weight of 358.50 g/mol. Its IUPAC name is tert-butyl 2-[[(4S)-3-formyl-2,2,5,5-tetramethyl-1,3-thiazolidine-4-carbonyl]amino]-2-methylpropanoate.

Molecular Properties

Compound Nametert-butyl 2-[[(4S)-3-formyl-2,2,5,5-tetramethyl-1,3-thiazolidine-4-carbonyl]amino]-2-methylpropanoate
PubChem CID10291916
Molecular FormulaC17H30N2O4S
Molecular Weight358.50 g/mol
Exact Mass358.19
IUPAC Nametert-butyl 2-[[(4S)-3-formyl-2,2,5,5-tetramethyl-1,3-thiazolidine-4-carbonyl]amino]-2-methylpropanoate
SMILESCC(C)(C)OC(=O)C(C)(C)NC(=O)[C@@H]1N(C=O)C(C)(C)SC1(C)C
InChIInChI=1S/C17H30N2O4S/c1-14(2,3)23-13(22)15(4,5)18-12(21)11-16(6,7)24-17(8,9)19(11)10-20/h10-11H,1-9H3,(H,18,21)/t11-/m0/s1
InChIKeyCKQZGQGPSZSOIN-NSHDSACASA-N
XLogP2.31
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.50
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

CID 10268430
CID 10268430
CID 272756
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CID 10833114
CID 10833114
CID 12613551
CID 12613551
CID 9858101
CID 9858101
CID 20616071
CID 20616071
CID 21299113
CID 21299113
CID 22839176
CID 22839176
CID 22839177
CID 22839177
CID 58108293
CID 58108293
CID 59415611
CID 59415611
CID 68762203
CID 68762203

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]-2-methylpropanoate?
The IUPAC name of tert-butyl 2-[[(4S)-3-formyl-2,2,5,5-tetramethyl-1,3-thiazolidine-4-carbonyl]amino]-2-methylpropanoate (CID 10291916) is tert-butyl 2-[[(4S)-3-formyl-2,2,5,5-tetramethyl-1,3-thiazolidine-4-carbonyl]amino]-2-methylpropanoate.
What is the SMILES notation for tert-butyl 2-[[(4S)-3-formyl-2,2,5,5-tetramethyl-1,3-thiazolidine-4-carbonyl]amino]-2-methylpropanoate?
The canonical SMILES for tert-butyl 2-[[(4S)-3-formyl-2,2,5,5-tetramethyl-1,3-thiazolidine-4-carbonyl]amino]-2-methylpropanoate is CC(C)(C)OC(=O)C(C)(C)NC(=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]-2-methylpropanoate?
The InChIKey is CKQZGQGPSZSOIN-NSHDSACASA-N. The full InChI is InChI=1S/C17H30N2O4S/c1-14(2,3)23-13(22)15(4,5)18-12(21)11-16(6,7)24-17(8,9)19(11)10-20/h10-11H,1-9H3,(H,18,21)/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]-2-methylpropanoate?
tert-butyl 2-[[(4S)-3-formyl-2,2,5,5-tetramethyl-1,3-thiazolidine-4-carbonyl]amino]-2-methylpropanoate has a molecular weight of 358.50 g/mol, XLogP of 2.31, 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]-2-methylpropanoate is sourced from PubChem (CID 10291916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).