tert-butyl 4-[(1S)-1-amino-2-oxo-2-(1,3-thiazolidin-3-yl)ethyl]piperidine-1-carboxylate

C15H27N3O3S — CID 86759971

IUPACtert-butyl 4-[(1S)-1-amino-2-oxo-2-(1,3-thiazolidin-3-yl)ethyl]piperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC([C@H](N)C(=O)N2CCSC2)CC1
InChIInChI=1S/C15H27N3O3S/c1-15(2,3)21-14(20)17-6-4-11(5-7-17)12(16)13(19)18-8-9-22-10-18/h11-12H,4-10,16H2,1-3H3/t12-/m0/s1
InChIKeyIBPMNPOMPQYVQD-LBPRGKRZSA-N
MW329.47 g/mol
LogP1.49
Rot. Bonds2

About tert-butyl 4-[(1S)-1-amino-2-oxo-2-(1,3-thiazolidin-3-yl)ethyl]piperidine-1-carboxylate

tert-butyl 4-[(1S)-1-amino-2-oxo-2-(1,3-thiazolidin-3-yl)ethyl]piperidine-1-carboxylate (PubChem CID 86759971) has the molecular formula C15H27N3O3S and a molecular weight of 329.47 g/mol. Its IUPAC name is tert-butyl 4-[(1S)-1-amino-2-oxo-2-(1,3-thiazolidin-3-yl)ethyl]piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-[(1S)-1-amino-2-oxo-2-(1,3-thiazolidin-3-yl)ethyl]piperidine-1-carboxylate
PubChem CID86759971
Molecular FormulaC15H27N3O3S
Molecular Weight329.47 g/mol
Exact Mass329.18
IUPAC Nametert-butyl 4-[(1S)-1-amino-2-oxo-2-(1,3-thiazolidin-3-yl)ethyl]piperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC([C@H](N)C(=O)N2CCSC2)CC1
InChIInChI=1S/C15H27N3O3S/c1-15(2,3)21-14(20)17-6-4-11(5-7-17)12(16)13(19)18-8-9-22-10-18/h11-12H,4-10,16H2,1-3H3/t12-/m0/s1
InChIKeyIBPMNPOMPQYVQD-LBPRGKRZSA-N
XLogP1.49
TPSA75.87 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.47
LogP ≤ 51.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

Boc-Met-Pro-piperazide
CID 177665150
tert-butyl N-[3-methyl-1-oxo-1-(1,3-thiazolidin-3-yl)pentan-2-yl]carbamate
CID 23596433
tert-butyl N-[(2S)-3-methyl-1-oxo-1-(1,3-thiazolidin-3-yl)pentan-2-yl]carbamate
CID 58594264
methyl 4-[(1S)-1-amino-2-oxo-2-(1,3-thiazolidin-3-yl)ethyl]piperidine-1-carboxylate
CID 58619011
tert-butyl N-[(3R,6S)-3-methyl-5-oxo-2,3,6,7,8,8a-hexahydro-[1,3]thiazolo[3,2-a]pyridin-6-yl]carbamate
CID 59415556
Tert-butyl 4-(5-ethyl-4-oxo-1,3-thiazolidin-2-yl)piperidine-1-carboxylate
CID 59862960
(4S)-4-amino-3-methyl-5-oxo-5-(1,3-thiazolidin-3-yl)pentanamide
CID 66696477
tert-Butyl (2S,4S)-4-(piperazin-1-yl)-2-(1,3-thiazolidine-3-carbonyl)pyrrolidine-1-carboxylate
CID 67507471
4-[(1S)-1-amino-2-oxo-2-(1,3-thiazolidin-3-yl)ethyl]piperidine-1-carboxylic acid
CID 69152774
[(1S)-2-oxo-1-piperidin-4-yl-2-(1,3-thiazolidin-3-yl)ethyl]carbamic acid
CID 69152893
tert-Butyl (2S)-2-{[(piperidin-4-yl)methyl]carbamoyl}pyrrolidine-1-carboxylate
CID 69214849
tert-butyl N-[(2S)-5-amino-1-oxo-1-(1,3-thiazolidin-3-yl)pentan-2-yl]carbamate
CID 69239300

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-[(1S)-1-amino-2-oxo-2-(1,3-thiazolidin-3-yl)ethyl]piperidine-1-carboxylate?
The IUPAC name of tert-butyl 4-[(1S)-1-amino-2-oxo-2-(1,3-thiazolidin-3-yl)ethyl]piperidine-1-carboxylate (CID 86759971) is tert-butyl 4-[(1S)-1-amino-2-oxo-2-(1,3-thiazolidin-3-yl)ethyl]piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-[(1S)-1-amino-2-oxo-2-(1,3-thiazolidin-3-yl)ethyl]piperidine-1-carboxylate?
The canonical SMILES for tert-butyl 4-[(1S)-1-amino-2-oxo-2-(1,3-thiazolidin-3-yl)ethyl]piperidine-1-carboxylate is CC(C)(C)OC(=O)N1CCC([C@H](N)C(=O)N2CCSC2)CC1.
What is the InChIKey of tert-butyl 4-[(1S)-1-amino-2-oxo-2-(1,3-thiazolidin-3-yl)ethyl]piperidine-1-carboxylate?
The InChIKey is IBPMNPOMPQYVQD-LBPRGKRZSA-N. The full InChI is InChI=1S/C15H27N3O3S/c1-15(2,3)21-14(20)17-6-4-11(5-7-17)12(16)13(19)18-8-9-22-10-18/h11-12H,4-10,16H2,1-3H3/t12-/m0/s1.
What are the key properties of tert-butyl 4-[(1S)-1-amino-2-oxo-2-(1,3-thiazolidin-3-yl)ethyl]piperidine-1-carboxylate?
tert-butyl 4-[(1S)-1-amino-2-oxo-2-(1,3-thiazolidin-3-yl)ethyl]piperidine-1-carboxylate has a molecular weight of 329.47 g/mol, XLogP of 1.49, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-[(1S)-1-amino-2-oxo-2-(1,3-thiazolidin-3-yl)ethyl]piperidine-1-carboxylate is sourced from PubChem (CID 86759971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).