tert-butyl N-[2-[(4R)-4-(hydroxymethyl)-2,2-dimethyl-1,3-thiazolidin-3-yl]-2-oxoethyl]carbamate

C13H24N2O4S — CID 59926720

IUPACtert-butyl N-[2-[(4R)-4-(hydroxymethyl)-2,2-dimethyl-1,3-thiazolidin-3-yl]-2-oxoethyl]carbamate
SMILESCC(C)(C)OC(=O)NCC(=O)N1[C@H](CO)CSC1(C)C
InChIInChI=1S/C13H24N2O4S/c1-12(2,3)19-11(18)14-6-10(17)15-9(7-16)8-20-13(15,4)5/h9,16H,6-8H2,1-5H3,(H,14,18)/t9-/m1/s1
InChIKeyMDQPTNQIDUEDLI-SECBINFHSA-N
MW304.41 g/mol
LogP1.18
Rot. Bonds3

About tert-butyl N-[2-[(4R)-4-(hydroxymethyl)-2,2-dimethyl-1,3-thiazolidin-3-yl]-2-oxoethyl]carbamate

tert-butyl N-[2-[(4R)-4-(hydroxymethyl)-2,2-dimethyl-1,3-thiazolidin-3-yl]-2-oxoethyl]carbamate (PubChem CID 59926720) has the molecular formula C13H24N2O4S and a molecular weight of 304.41 g/mol. Its IUPAC name is tert-butyl N-[2-[(4R)-4-(hydroxymethyl)-2,2-dimethyl-1,3-thiazolidin-3-yl]-2-oxoethyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[2-[(4R)-4-(hydroxymethyl)-2,2-dimethyl-1,3-thiazolidin-3-yl]-2-oxoethyl]carbamate
PubChem CID59926720
Molecular FormulaC13H24N2O4S
Molecular Weight304.41 g/mol
Exact Mass304.15
IUPAC Nametert-butyl N-[2-[(4R)-4-(hydroxymethyl)-2,2-dimethyl-1,3-thiazolidin-3-yl]-2-oxoethyl]carbamate
SMILESCC(C)(C)OC(=O)NCC(=O)N1[C@H](CO)CSC1(C)C
InChIInChI=1S/C13H24N2O4S/c1-12(2,3)19-11(18)14-6-10(17)15-9(7-16)8-20-13(15,4)5/h9,16H,6-8H2,1-5H3,(H,14,18)/t9-/m1/s1
InChIKeyMDQPTNQIDUEDLI-SECBINFHSA-N
XLogP1.18
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.41
LogP ≤ 51.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze tert-butyl N-[2-[(4R)-4-(hydroxymethyl)-2,2-dimethyl-1,3-thiazolidin-3-yl]-2-oxoethyl]carbamate with MolForge

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Related Compounds

methyl (2R,4R)-3-acetyl-2-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]-1,3-thiazolidine-4-carboxylate
CID 10958124
Methyl (4R)-2-(((tert-butoxycarbonyl)amino)methyl)thiazolidine-4-carboxylate
CID 11208142
tert-butyl N-[(2S)-3-hydroxy-1-oxo-1-(1,3-thiazolidin-3-yl)propan-2-yl]carbamate
CID 18440335
4,4-Dimethyl-3-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethanethioyl]-1,3-thiazolidine-2-carboxylic acid
CID 20623024
3-[2-[(2-Methylpropan-2-yl)oxycarbonylamino]acetyl]-1,3-thiazolidine-2-carboxylic acid
CID 20623033
tert-butyl N-[2-[2-(hydroxymethyl)-4,4-dimethyl-1,3-thiazolidin-3-yl]-2-sulfanylideneethyl]carbamate
CID 20623039
2,2-Dimethyl-3-[2-[(2-methylpropan-2-yl)oxycarbonylamino]acetyl]-1,3-thiazolidine-4-carboxylic acid
CID 20623463
3-[2-[(2-Methylpropan-2-yl)oxycarbonylamino]acetyl]-1,3-thiazolidine-4-carboxylic acid
CID 20623465
3-[2-[(2-Methylpropan-2-yl)oxycarbonylamino]ethanethioyl]-1,3-thiazolidine-4-carboxylic acid
CID 20623467
tert-butyl N-[2-(2-formyl-4,4-dimethyl-1,3-thiazolidin-3-yl)-2-oxoethyl]carbamate
CID 20624393
tert-butyl N-[2-[2-(hydroxymethyl)-1,3-thiazolidin-3-yl]-2-oxoethyl]carbamate
CID 20624407
tert-butyl N-[2-(4-formyl-2,2-dimethyl-1,3-thiazolidin-3-yl)-2-oxoethyl]carbamate
CID 20624409

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[2-[(4R)-4-(hydroxymethyl)-2,2-dimethyl-1,3-thiazolidin-3-yl]-2-oxoethyl]carbamate?
The IUPAC name of tert-butyl N-[2-[(4R)-4-(hydroxymethyl)-2,2-dimethyl-1,3-thiazolidin-3-yl]-2-oxoethyl]carbamate (CID 59926720) is tert-butyl N-[2-[(4R)-4-(hydroxymethyl)-2,2-dimethyl-1,3-thiazolidin-3-yl]-2-oxoethyl]carbamate.
What is the SMILES notation for tert-butyl N-[2-[(4R)-4-(hydroxymethyl)-2,2-dimethyl-1,3-thiazolidin-3-yl]-2-oxoethyl]carbamate?
The canonical SMILES for tert-butyl N-[2-[(4R)-4-(hydroxymethyl)-2,2-dimethyl-1,3-thiazolidin-3-yl]-2-oxoethyl]carbamate is CC(C)(C)OC(=O)NCC(=O)N1[C@H](CO)CSC1(C)C.
What is the InChIKey of tert-butyl N-[2-[(4R)-4-(hydroxymethyl)-2,2-dimethyl-1,3-thiazolidin-3-yl]-2-oxoethyl]carbamate?
The InChIKey is MDQPTNQIDUEDLI-SECBINFHSA-N. The full InChI is InChI=1S/C13H24N2O4S/c1-12(2,3)19-11(18)14-6-10(17)15-9(7-16)8-20-13(15,4)5/h9,16H,6-8H2,1-5H3,(H,14,18)/t9-/m1/s1.
What are the key properties of tert-butyl N-[2-[(4R)-4-(hydroxymethyl)-2,2-dimethyl-1,3-thiazolidin-3-yl]-2-oxoethyl]carbamate?
tert-butyl N-[2-[(4R)-4-(hydroxymethyl)-2,2-dimethyl-1,3-thiazolidin-3-yl]-2-oxoethyl]carbamate has a molecular weight of 304.41 g/mol, XLogP of 1.18, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[2-[(4R)-4-(hydroxymethyl)-2,2-dimethyl-1,3-thiazolidin-3-yl]-2-oxoethyl]carbamate is sourced from PubChem (CID 59926720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).