tert-butyl 4-[[(2S)-1-methoxy-1-oxopropan-2-yl]carbamoyl]-2-methyl-1,3-thiazolidine-3-carboxylate

C14H24N2O5S — CID 22839176

IUPACtert-butyl 4-[[(2S)-1-methoxy-1-oxopropan-2-yl]carbamoyl]-2-methyl-1,3-thiazolidine-3-carboxylate
SMILESCOC(=O)[C@H](C)NC(=O)C1CSC(C)N1C(=O)OC(C)(C)C
InChIInChI=1S/C14H24N2O5S/c1-8(12(18)20-6)15-11(17)10-7-22-9(2)16(10)13(19)21-14(3,4)5/h8-10H,7H2,1-6H3,(H,15,17)/t8-,9?,10?/m0/s1
InChIKeyGRZPYEKUCHJASS-IDKOKCKLSA-N
MW332.42 g/mol
LogP1.36
Rot. Bonds3

About tert-butyl 4-[[(2S)-1-methoxy-1-oxopropan-2-yl]carbamoyl]-2-methyl-1,3-thiazolidine-3-carboxylate

tert-butyl 4-[[(2S)-1-methoxy-1-oxopropan-2-yl]carbamoyl]-2-methyl-1,3-thiazolidine-3-carboxylate (PubChem CID 22839176) has the molecular formula C14H24N2O5S and a molecular weight of 332.42 g/mol. Its IUPAC name is tert-butyl 4-[[(2S)-1-methoxy-1-oxopropan-2-yl]carbamoyl]-2-methyl-1,3-thiazolidine-3-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-[[(2S)-1-methoxy-1-oxopropan-2-yl]carbamoyl]-2-methyl-1,3-thiazolidine-3-carboxylate
PubChem CID22839176
Molecular FormulaC14H24N2O5S
Molecular Weight332.42 g/mol
Exact Mass332.14
IUPAC Nametert-butyl 4-[[(2S)-1-methoxy-1-oxopropan-2-yl]carbamoyl]-2-methyl-1,3-thiazolidine-3-carboxylate
SMILESCOC(=O)[C@H](C)NC(=O)C1CSC(C)N1C(=O)OC(C)(C)C
InChIInChI=1S/C14H24N2O5S/c1-8(12(18)20-6)15-11(17)10-7-22-9(2)16(10)13(19)21-14(3,4)5/h8-10H,7H2,1-6H3,(H,15,17)/t8-,9?,10?/m0/s1
InChIKeyGRZPYEKUCHJASS-IDKOKCKLSA-N
XLogP1.36
TPSA84.94 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.42
LogP ≤ 51.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze tert-butyl 4-[[(2S)-1-methoxy-1-oxopropan-2-yl]carbamoyl]-2-methyl-1,3-thiazolidine-3-carboxylate with MolForge

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Related Compounds

tert-butyl 2-[[(4R)-2-oxothiazolidine-4-carbonyl]amino]acetate
CID 477574
N-(Tert-butoxycarbonyl)-L-methionyl-L-alanine methyl ester
CID 45049922
methyl {[(2S)-2-[(tert-butoxycarbonyl)amino]-4-(methylsulfanyl)butanoyl]amino}acetate
CID 10853150
Boc-Ala-Cys(CF3)-OMe
CID 169084445
Boc-DL-Ala-DL-Cys(CF3)-OMe
CID 175436222
Methyl N-(tert-butoxycarbonyl)glycylmethioninate
CID 334754
Methyl 2-(2-{[(tert-butoxy)carbonyl]amino}-4-(methylsulfanyl)butanamido)propanoate
CID 335311
tert-butyl 2-[[(4S)-3-formyl-2,2,5,5-tetramethyl-1,3-thiazolidine-4-carbonyl]amino]acetate
CID 10268430
methyl (2R)-3-(2-amino-2-oxoethyl)sulfanyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate
CID 21680777
Methyl 3-(2-amino-2-oxoethyl)sulfanyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate
CID 73823813
methyl (2S,4R)-3-(2-chloroacetyl)-2-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]-1,3-thiazolidine-4-carboxylate
CID 10861135
3-O-tert-butyl 4-O-methyl (4R)-2,2-dimethyl-1,3-thiazolidine-3,4-dicarboxylate
CID 11065660

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-[[(2S)-1-methoxy-1-oxopropan-2-yl]carbamoyl]-2-methyl-1,3-thiazolidine-3-carboxylate?
The IUPAC name of tert-butyl 4-[[(2S)-1-methoxy-1-oxopropan-2-yl]carbamoyl]-2-methyl-1,3-thiazolidine-3-carboxylate (CID 22839176) is tert-butyl 4-[[(2S)-1-methoxy-1-oxopropan-2-yl]carbamoyl]-2-methyl-1,3-thiazolidine-3-carboxylate.
What is the SMILES notation for tert-butyl 4-[[(2S)-1-methoxy-1-oxopropan-2-yl]carbamoyl]-2-methyl-1,3-thiazolidine-3-carboxylate?
The canonical SMILES for tert-butyl 4-[[(2S)-1-methoxy-1-oxopropan-2-yl]carbamoyl]-2-methyl-1,3-thiazolidine-3-carboxylate is COC(=O)[C@H](C)NC(=O)C1CSC(C)N1C(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl 4-[[(2S)-1-methoxy-1-oxopropan-2-yl]carbamoyl]-2-methyl-1,3-thiazolidine-3-carboxylate?
The InChIKey is GRZPYEKUCHJASS-IDKOKCKLSA-N. The full InChI is InChI=1S/C14H24N2O5S/c1-8(12(18)20-6)15-11(17)10-7-22-9(2)16(10)13(19)21-14(3,4)5/h8-10H,7H2,1-6H3,(H,15,17)/t8-,9?,10?/m0/s1.
What are the key properties of tert-butyl 4-[[(2S)-1-methoxy-1-oxopropan-2-yl]carbamoyl]-2-methyl-1,3-thiazolidine-3-carboxylate?
tert-butyl 4-[[(2S)-1-methoxy-1-oxopropan-2-yl]carbamoyl]-2-methyl-1,3-thiazolidine-3-carboxylate has a molecular weight of 332.42 g/mol, XLogP of 1.36, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-[[(2S)-1-methoxy-1-oxopropan-2-yl]carbamoyl]-2-methyl-1,3-thiazolidine-3-carboxylate is sourced from PubChem (CID 22839176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).