tert-butyl (3S)-3-[[(1S)-1-pyrazin-2-ylethyl]amino]pyrrolidine-1-carboxylate

C15H24N4O2 — CID 97175478

IUPACtert-butyl (3S)-3-[[(1S)-1-pyrazin-2-ylethyl]amino]pyrrolidine-1-carboxylate
SMILESC[C@H](N[C@H]1CCN(C(=O)OC(C)(C)C)C1)c1cnccn1
InChIInChI=1S/C15H24N4O2/c1-11(13-9-16-6-7-17-13)18-12-5-8-19(10-12)14(20)21-15(2,3)4/h6-7,9,11-12,18H,5,8,10H2,1-4H3/t11-,12-/m0/s1
InChIKeyZXSLKUZUGJKOQX-RYUDHWBXSA-N
MW292.38 g/mol
LogP2.14
Rot. Bonds3

About tert-butyl (3S)-3-[[(1S)-1-pyrazin-2-ylethyl]amino]pyrrolidine-1-carboxylate

tert-butyl (3S)-3-[[(1S)-1-pyrazin-2-ylethyl]amino]pyrrolidine-1-carboxylate (PubChem CID 97175478) has the molecular formula C15H24N4O2 and a molecular weight of 292.38 g/mol. Its IUPAC name is tert-butyl (3S)-3-[[(1S)-1-pyrazin-2-ylethyl]amino]pyrrolidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl (3S)-3-[[(1S)-1-pyrazin-2-ylethyl]amino]pyrrolidine-1-carboxylate
PubChem CID97175478
Molecular FormulaC15H24N4O2
Molecular Weight292.38 g/mol
Exact Mass292.19
IUPAC Nametert-butyl (3S)-3-[[(1S)-1-pyrazin-2-ylethyl]amino]pyrrolidine-1-carboxylate
SMILESC[C@H](N[C@H]1CCN(C(=O)OC(C)(C)C)C1)c1cnccn1
InChIInChI=1S/C15H24N4O2/c1-11(13-9-16-6-7-17-13)18-12-5-8-19(10-12)14(20)21-15(2,3)4/h6-7,9,11-12,18H,5,8,10H2,1-4H3/t11-,12-/m0/s1
InChIKeyZXSLKUZUGJKOQX-RYUDHWBXSA-N
XLogP2.14
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.38
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze tert-butyl (3S)-3-[[(1S)-1-pyrazin-2-ylethyl]amino]pyrrolidine-1-carboxylate with MolForge

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Related Compounds

tert-butyl 4-[[(1S)-1-pyrazin-2-ylethyl]amino]piperidine-1-carboxylate
CID 97175693
tert-butyl 3-(1-pyrazin-2-ylethoxy)pyrrolidine-1-carboxylate
CID 71633662
tert-butyl (3S)-3-[methyl(1-pyrazin-2-ylethyl)amino]pyrrolidine-1-carboxylate
CID 71633228
tert-butyl 4-[(1S)-1-pyrazin-2-ylethoxy]piperidine-1-carboxylate
CID 97175835
tert-butyl (3R)-3-[1-(1,3-thiazol-2-yl)ethylamino]pyrrolidine-1-carboxylate
CID 71633325
tert-butyl (3R)-3-(pyrazin-2-ylmethylamino)pyrrolidine-1-carboxylate
CID 71629492
tert-butyl (3R)-3-[[(1R)-1-pyrazin-2-ylethoxy]methyl]pyrrolidine-1-carboxylate
CID 97175928
tert-butyl 3-(1-pyrazin-2-ylethoxy)piperidine-1-carboxylate
CID 71633656
2-phenoxy-1-[(3R)-3-[[(1R)-1-pyrazin-2-ylethyl]amino]pyrrolidin-1-yl]ethanone
CID 125141317
tert-butyl 3-[1-(4-bromophenyl)ethylamino]pyrrolidine-1-carboxylate
CID 103711104
tert-butyl 3-[1-(3,5-difluorophenyl)ethylamino]pyrrolidine-1-carboxylate
CID 103783496
tert-butyl (3R)-3-methyl-4-[(1R)-1-pyrazin-2-ylethyl]piperazine-1-carboxylate
CID 129460598

Frequently Asked Questions

What is the IUPAC name of tert-butyl (3S)-3-[[(1S)-1-pyrazin-2-ylethyl]amino]pyrrolidine-1-carboxylate?
The IUPAC name of tert-butyl (3S)-3-[[(1S)-1-pyrazin-2-ylethyl]amino]pyrrolidine-1-carboxylate (CID 97175478) is tert-butyl (3S)-3-[[(1S)-1-pyrazin-2-ylethyl]amino]pyrrolidine-1-carboxylate.
What is the SMILES notation for tert-butyl (3S)-3-[[(1S)-1-pyrazin-2-ylethyl]amino]pyrrolidine-1-carboxylate?
The canonical SMILES for tert-butyl (3S)-3-[[(1S)-1-pyrazin-2-ylethyl]amino]pyrrolidine-1-carboxylate is C[C@H](N[C@H]1CCN(C(=O)OC(C)(C)C)C1)c1cnccn1.
What is the InChIKey of tert-butyl (3S)-3-[[(1S)-1-pyrazin-2-ylethyl]amino]pyrrolidine-1-carboxylate?
The InChIKey is ZXSLKUZUGJKOQX-RYUDHWBXSA-N. The full InChI is InChI=1S/C15H24N4O2/c1-11(13-9-16-6-7-17-13)18-12-5-8-19(10-12)14(20)21-15(2,3)4/h6-7,9,11-12,18H,5,8,10H2,1-4H3/t11-,12-/m0/s1.
What are the key properties of tert-butyl (3S)-3-[[(1S)-1-pyrazin-2-ylethyl]amino]pyrrolidine-1-carboxylate?
tert-butyl (3S)-3-[[(1S)-1-pyrazin-2-ylethyl]amino]pyrrolidine-1-carboxylate has a molecular weight of 292.38 g/mol, XLogP of 2.14, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (3S)-3-[[(1S)-1-pyrazin-2-ylethyl]amino]pyrrolidine-1-carboxylate is sourced from PubChem (CID 97175478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).