tert-butyl N-[(2S)-5-amino-1-oxo-1-(1,3-thiazolidin-3-yl)pentan-2-yl]carbamate

C13H25N3O3S — CID 69239300

IUPACtert-butyl N-[(2S)-5-amino-1-oxo-1-(1,3-thiazolidin-3-yl)pentan-2-yl]carbamate
SMILESCC(C)(C)OC(=O)N[C@@H](CCCN)C(=O)N1CCSC1
InChIInChI=1S/C13H25N3O3S/c1-13(2,3)19-12(18)15-10(5-4-6-14)11(17)16-7-8-20-9-16/h10H,4-9,14H2,1-3H3,(H,15,18)/t10-/m0/s1
InChIKeyYKEPYTTZDSSTJB-JTQLQIEISA-N
MW303.43 g/mol
LogP1.15
Rot. Bonds5

About tert-butyl N-[(2S)-5-amino-1-oxo-1-(1,3-thiazolidin-3-yl)pentan-2-yl]carbamate

tert-butyl N-[(2S)-5-amino-1-oxo-1-(1,3-thiazolidin-3-yl)pentan-2-yl]carbamate (PubChem CID 69239300) has the molecular formula C13H25N3O3S and a molecular weight of 303.43 g/mol. Its IUPAC name is tert-butyl N-[(2S)-5-amino-1-oxo-1-(1,3-thiazolidin-3-yl)pentan-2-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[(2S)-5-amino-1-oxo-1-(1,3-thiazolidin-3-yl)pentan-2-yl]carbamate
PubChem CID69239300
Molecular FormulaC13H25N3O3S
Molecular Weight303.43 g/mol
Exact Mass303.16
IUPAC Nametert-butyl N-[(2S)-5-amino-1-oxo-1-(1,3-thiazolidin-3-yl)pentan-2-yl]carbamate
SMILESCC(C)(C)OC(=O)N[C@@H](CCCN)C(=O)N1CCSC1
InChIInChI=1S/C13H25N3O3S/c1-13(2,3)19-12(18)15-10(5-4-6-14)11(17)16-7-8-20-9-16/h10H,4-9,14H2,1-3H3,(H,15,18)/t10-/m0/s1
InChIKeyYKEPYTTZDSSTJB-JTQLQIEISA-N
XLogP1.15
TPSA84.66 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.43
LogP ≤ 51.15
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)-5-amino-1-oxo-1-(1,3-thiazolidin-3-yl)pentan-2-yl]carbamate?
The IUPAC name of tert-butyl N-[(2S)-5-amino-1-oxo-1-(1,3-thiazolidin-3-yl)pentan-2-yl]carbamate (CID 69239300) is tert-butyl N-[(2S)-5-amino-1-oxo-1-(1,3-thiazolidin-3-yl)pentan-2-yl]carbamate.
What is the SMILES notation for tert-butyl N-[(2S)-5-amino-1-oxo-1-(1,3-thiazolidin-3-yl)pentan-2-yl]carbamate?
The canonical SMILES for tert-butyl N-[(2S)-5-amino-1-oxo-1-(1,3-thiazolidin-3-yl)pentan-2-yl]carbamate is CC(C)(C)OC(=O)N[C@@H](CCCN)C(=O)N1CCSC1.
What is the InChIKey of tert-butyl N-[(2S)-5-amino-1-oxo-1-(1,3-thiazolidin-3-yl)pentan-2-yl]carbamate?
The InChIKey is YKEPYTTZDSSTJB-JTQLQIEISA-N. The full InChI is InChI=1S/C13H25N3O3S/c1-13(2,3)19-12(18)15-10(5-4-6-14)11(17)16-7-8-20-9-16/h10H,4-9,14H2,1-3H3,(H,15,18)/t10-/m0/s1.
What are the key properties of tert-butyl N-[(2S)-5-amino-1-oxo-1-(1,3-thiazolidin-3-yl)pentan-2-yl]carbamate?
tert-butyl N-[(2S)-5-amino-1-oxo-1-(1,3-thiazolidin-3-yl)pentan-2-yl]carbamate has a molecular weight of 303.43 g/mol, XLogP of 1.15, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[(2S)-5-amino-1-oxo-1-(1,3-thiazolidin-3-yl)pentan-2-yl]carbamate is sourced from PubChem (CID 69239300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).