tert-butyl N-[(2S)-3-hydroxy-1-oxo-1-(1,3-thiazolidin-3-yl)propan-2-yl]carbamate

C11H20N2O4S — CID 18440335

IUPACtert-butyl N-[(2S)-3-hydroxy-1-oxo-1-(1,3-thiazolidin-3-yl)propan-2-yl]carbamate
SMILESCC(C)(C)OC(=O)N[C@@H](CO)C(=O)N1CCSC1
InChIInChI=1S/C11H20N2O4S/c1-11(2,3)17-10(16)12-8(6-14)9(15)13-4-5-18-7-13/h8,14H,4-7H2,1-3H3,(H,12,16)/t8-/m0/s1
InChIKeyUSASDLBVJULDSP-QMMMGPOBSA-N
MW276.36 g/mol
LogP0.40
Rot. Bonds3

About tert-butyl N-[(2S)-3-hydroxy-1-oxo-1-(1,3-thiazolidin-3-yl)propan-2-yl]carbamate

tert-butyl N-[(2S)-3-hydroxy-1-oxo-1-(1,3-thiazolidin-3-yl)propan-2-yl]carbamate (PubChem CID 18440335) has the molecular formula C11H20N2O4S and a molecular weight of 276.36 g/mol. Its IUPAC name is tert-butyl N-[(2S)-3-hydroxy-1-oxo-1-(1,3-thiazolidin-3-yl)propan-2-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[(2S)-3-hydroxy-1-oxo-1-(1,3-thiazolidin-3-yl)propan-2-yl]carbamate
PubChem CID18440335
Molecular FormulaC11H20N2O4S
Molecular Weight276.36 g/mol
Exact Mass276.11
IUPAC Nametert-butyl N-[(2S)-3-hydroxy-1-oxo-1-(1,3-thiazolidin-3-yl)propan-2-yl]carbamate
SMILESCC(C)(C)OC(=O)N[C@@H](CO)C(=O)N1CCSC1
InChIInChI=1S/C11H20N2O4S/c1-11(2,3)17-10(16)12-8(6-14)9(15)13-4-5-18-7-13/h8,14H,4-7H2,1-3H3,(H,12,16)/t8-/m0/s1
InChIKeyUSASDLBVJULDSP-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

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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[(2S)-3-hydroxy-1-oxo-1-(1,3-thiazolidin-3-yl)propan-2-yl]carbamate?
The IUPAC name of tert-butyl N-[(2S)-3-hydroxy-1-oxo-1-(1,3-thiazolidin-3-yl)propan-2-yl]carbamate (CID 18440335) is tert-butyl N-[(2S)-3-hydroxy-1-oxo-1-(1,3-thiazolidin-3-yl)propan-2-yl]carbamate.
What is the SMILES notation for tert-butyl N-[(2S)-3-hydroxy-1-oxo-1-(1,3-thiazolidin-3-yl)propan-2-yl]carbamate?
The canonical SMILES for tert-butyl N-[(2S)-3-hydroxy-1-oxo-1-(1,3-thiazolidin-3-yl)propan-2-yl]carbamate is CC(C)(C)OC(=O)N[C@@H](CO)C(=O)N1CCSC1.
What is the InChIKey of tert-butyl N-[(2S)-3-hydroxy-1-oxo-1-(1,3-thiazolidin-3-yl)propan-2-yl]carbamate?
The InChIKey is USASDLBVJULDSP-QMMMGPOBSA-N. The full InChI is InChI=1S/C11H20N2O4S/c1-11(2,3)17-10(16)12-8(6-14)9(15)13-4-5-18-7-13/h8,14H,4-7H2,1-3H3,(H,12,16)/t8-/m0/s1.
What are the key properties of tert-butyl N-[(2S)-3-hydroxy-1-oxo-1-(1,3-thiazolidin-3-yl)propan-2-yl]carbamate?
tert-butyl N-[(2S)-3-hydroxy-1-oxo-1-(1,3-thiazolidin-3-yl)propan-2-yl]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-[(2S)-3-hydroxy-1-oxo-1-(1,3-thiazolidin-3-yl)propan-2-yl]carbamate is sourced from PubChem (CID 18440335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).