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

C11H20N2O4S — CID 59926989

IUPACtert-butyl N-[2-[(4S)-4-(hydroxymethyl)-1,3-thiazolidin-3-yl]-2-oxoethyl]carbamate
SMILESCC(C)(C)OC(=O)NCC(=O)N1CSC[C@@H]1CO
InChIInChI=1S/C11H20N2O4S/c1-11(2,3)17-10(16)12-4-9(15)13-7-18-6-8(13)5-14/h8,14H,4-7H2,1-3H3,(H,12,16)/t8-/m0/s1
InChIKeyYHBJDUIIUSWQJL-QMMMGPOBSA-N
MW276.36 g/mol
LogP0.40
Rot. Bonds3

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

tert-butyl N-[2-[(4S)-4-(hydroxymethyl)-1,3-thiazolidin-3-yl]-2-oxoethyl]carbamate (PubChem CID 59926989) has the molecular formula C11H20N2O4S and a molecular weight of 276.36 g/mol. Its IUPAC name is tert-butyl N-[2-[(4S)-4-(hydroxymethyl)-1,3-thiazolidin-3-yl]-2-oxoethyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[2-[(4S)-4-(hydroxymethyl)-1,3-thiazolidin-3-yl]-2-oxoethyl]carbamate
PubChem CID59926989
Molecular FormulaC11H20N2O4S
Molecular Weight276.36 g/mol
Exact Mass276.11
IUPAC Nametert-butyl N-[2-[(4S)-4-(hydroxymethyl)-1,3-thiazolidin-3-yl]-2-oxoethyl]carbamate
SMILESCC(C)(C)OC(=O)NCC(=O)N1CSC[C@@H]1CO
InChIInChI=1S/C11H20N2O4S/c1-11(2,3)17-10(16)12-4-9(15)13-7-18-6-8(13)5-14/h8,14H,4-7H2,1-3H3,(H,12,16)/t8-/m0/s1
InChIKeyYHBJDUIIUSWQJL-QMMMGPOBSA-N
XLogP0.40
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.36
LogP ≤ 50.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze tert-butyl N-[2-[(4S)-4-(hydroxymethyl)-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
Boc-Val-Thz-OH
CID 10830416
tert-butyl N-[(2S)-3-hydroxy-1-oxo-1-(1,3-thiazolidin-3-yl)propan-2-yl]carbamate
CID 18440335
3-[2-[(2-Methylpropan-2-yl)oxycarbonylamino]acetyl]-1,3-thiazolidine-2-carboxylic acid
CID 20623033
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
tert-butyl N-[2-(4-formyl-1,3-thiazolidin-3-yl)-2-oxoethyl]carbamate
CID 20624412
tert-butyl N-[2-[4-(hydroxymethyl)-2,2-dimethyl-1,3-thiazolidin-3-yl]-2-oxoethyl]carbamate
CID 20624414

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[2-[(4S)-4-(hydroxymethyl)-1,3-thiazolidin-3-yl]-2-oxoethyl]carbamate?
The IUPAC name of tert-butyl N-[2-[(4S)-4-(hydroxymethyl)-1,3-thiazolidin-3-yl]-2-oxoethyl]carbamate (CID 59926989) is tert-butyl N-[2-[(4S)-4-(hydroxymethyl)-1,3-thiazolidin-3-yl]-2-oxoethyl]carbamate.
What is the SMILES notation for tert-butyl N-[2-[(4S)-4-(hydroxymethyl)-1,3-thiazolidin-3-yl]-2-oxoethyl]carbamate?
The canonical SMILES for tert-butyl N-[2-[(4S)-4-(hydroxymethyl)-1,3-thiazolidin-3-yl]-2-oxoethyl]carbamate is CC(C)(C)OC(=O)NCC(=O)N1CSC[C@@H]1CO.
What is the InChIKey of tert-butyl N-[2-[(4S)-4-(hydroxymethyl)-1,3-thiazolidin-3-yl]-2-oxoethyl]carbamate?
The InChIKey is YHBJDUIIUSWQJL-QMMMGPOBSA-N. The full InChI is InChI=1S/C11H20N2O4S/c1-11(2,3)17-10(16)12-4-9(15)13-7-18-6-8(13)5-14/h8,14H,4-7H2,1-3H3,(H,12,16)/t8-/m0/s1.
What are the key properties of tert-butyl N-[2-[(4S)-4-(hydroxymethyl)-1,3-thiazolidin-3-yl]-2-oxoethyl]carbamate?
tert-butyl N-[2-[(4S)-4-(hydroxymethyl)-1,3-thiazolidin-3-yl]-2-oxoethyl]carbamate has a molecular weight of 276.36 g/mol, XLogP of 0.40, 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-[(4S)-4-(hydroxymethyl)-1,3-thiazolidin-3-yl]-2-oxoethyl]carbamate is sourced from PubChem (CID 59926989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).