tert-butyl (3R)-3-[1-(1,3-thiazol-2-yl)ethylamino]pyrrolidine-1-carboxylate

C14H23N3O2S — CID 71633325

IUPACtert-butyl (3R)-3-[1-(1,3-thiazol-2-yl)ethylamino]pyrrolidine-1-carboxylate
SMILESCC(N[C@@H]1CCN(C(=O)OC(C)(C)C)C1)c1nccs1
InChIInChI=1S/C14H23N3O2S/c1-10(12-15-6-8-20-12)16-11-5-7-17(9-11)13(18)19-14(2,3)4/h6,8,10-11,16H,5,7,9H2,1-4H3/t10?,11-/m1/s1
InChIKeyVCUOTRDUUFDWEQ-RRKGBCIJSA-N
MW297.42 g/mol
LogP2.80
Rot. Bonds3

About tert-butyl (3R)-3-[1-(1,3-thiazol-2-yl)ethylamino]pyrrolidine-1-carboxylate

tert-butyl (3R)-3-[1-(1,3-thiazol-2-yl)ethylamino]pyrrolidine-1-carboxylate (PubChem CID 71633325) has the molecular formula C14H23N3O2S and a molecular weight of 297.42 g/mol. Its IUPAC name is tert-butyl (3R)-3-[1-(1,3-thiazol-2-yl)ethylamino]pyrrolidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl (3R)-3-[1-(1,3-thiazol-2-yl)ethylamino]pyrrolidine-1-carboxylate
PubChem CID71633325
Molecular FormulaC14H23N3O2S
Molecular Weight297.42 g/mol
Exact Mass297.15
IUPAC Nametert-butyl (3R)-3-[1-(1,3-thiazol-2-yl)ethylamino]pyrrolidine-1-carboxylate
SMILESCC(N[C@@H]1CCN(C(=O)OC(C)(C)C)C1)c1nccs1
InChIInChI=1S/C14H23N3O2S/c1-10(12-15-6-8-20-12)16-11-5-7-17(9-11)13(18)19-14(2,3)4/h6,8,10-11,16H,5,7,9H2,1-4H3/t10?,11-/m1/s1
InChIKeyVCUOTRDUUFDWEQ-RRKGBCIJSA-N
XLogP2.80
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.42
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

tert-butyl (3S)-3-[[(1R)-1-(1,3-thiazol-2-yl)ethyl]amino]piperidine-1-carboxylate
CID 96563343
tert-butyl (3R)-3-[[(1S)-1-(1,3-thiazol-2-yl)ethyl]amino]piperidine-1-carboxylate
CID 96563340
tert-butyl 3-[[1-(1,3-thiazol-2-yl)ethylamino]methyl]pyrrolidine-1-carboxylate
CID 71633620
tert-butyl 3-(1,3-thiazol-2-ylamino)pyrrolidine-1-carboxylate
CID 71629653
tert-butyl 3-[hydroxy(1,3-thiazol-2-yl)methyl]piperidine-1-carboxylate
CID 71183822
tert-butyl (3S)-3-methoxy-4-[1-(1,3-thiazol-2-yl)ethylamino]pyrrolidine-1-carboxylate
CID 103904519
tert-butyl (3S)-3-[[(1S)-1-pyrazin-2-ylethyl]amino]pyrrolidine-1-carboxylate
CID 97175478
tert-butyl (3S)-3-(pyrimidin-2-ylamino)pyrrolidine-1-carboxylate
CID 71301820
tert-butyl 3-[methyl-[1-(1,3-thiazol-2-yl)ethyl]amino]piperidine-1-carboxylate
CID 71633235
tert-butyl 3-[1-(3,4-dimethylphenyl)ethylamino]pyrrolidine-1-carboxylate
CID 107239352
tert-butyl (3R)-3-[[(1S)-1-(1,3-thiazol-2-yl)ethoxy]methyl]piperidine-1-carboxylate
CID 97175883
tert-butyl 3-[1-(4-bromophenyl)ethylamino]pyrrolidine-1-carboxylate
CID 103711104

Frequently Asked Questions

What is the IUPAC name of tert-butyl (3R)-3-[1-(1,3-thiazol-2-yl)ethylamino]pyrrolidine-1-carboxylate?
The IUPAC name of tert-butyl (3R)-3-[1-(1,3-thiazol-2-yl)ethylamino]pyrrolidine-1-carboxylate (CID 71633325) is tert-butyl (3R)-3-[1-(1,3-thiazol-2-yl)ethylamino]pyrrolidine-1-carboxylate.
What is the SMILES notation for tert-butyl (3R)-3-[1-(1,3-thiazol-2-yl)ethylamino]pyrrolidine-1-carboxylate?
The canonical SMILES for tert-butyl (3R)-3-[1-(1,3-thiazol-2-yl)ethylamino]pyrrolidine-1-carboxylate is CC(N[C@@H]1CCN(C(=O)OC(C)(C)C)C1)c1nccs1.
What is the InChIKey of tert-butyl (3R)-3-[1-(1,3-thiazol-2-yl)ethylamino]pyrrolidine-1-carboxylate?
The InChIKey is VCUOTRDUUFDWEQ-RRKGBCIJSA-N. The full InChI is InChI=1S/C14H23N3O2S/c1-10(12-15-6-8-20-12)16-11-5-7-17(9-11)13(18)19-14(2,3)4/h6,8,10-11,16H,5,7,9H2,1-4H3/t10?,11-/m1/s1.
What are the key properties of tert-butyl (3R)-3-[1-(1,3-thiazol-2-yl)ethylamino]pyrrolidine-1-carboxylate?
tert-butyl (3R)-3-[1-(1,3-thiazol-2-yl)ethylamino]pyrrolidine-1-carboxylate has a molecular weight of 297.42 g/mol, XLogP of 2.80, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (3R)-3-[1-(1,3-thiazol-2-yl)ethylamino]pyrrolidine-1-carboxylate is sourced from PubChem (CID 71633325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).