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

C16H26N4O2 — CID 97175736

IUPACtert-butyl (2S)-2-[[[(1R)-1-pyrazin-2-ylethyl]amino]methyl]pyrrolidine-1-carboxylate
SMILESC[C@@H](NC[C@@H]1CCCN1C(=O)OC(C)(C)C)c1cnccn1
InChIInChI=1S/C16H26N4O2/c1-12(14-11-17-7-8-18-14)19-10-13-6-5-9-20(13)15(21)22-16(2,3)4/h7-8,11-13,19H,5-6,9-10H2,1-4H3/t12-,13+/m1/s1
InChIKeyBYURTGIECFVICS-OLZOCXBDSA-N
MW306.41 g/mol
LogP2.53
Rot. Bonds4

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

tert-butyl (2S)-2-[[[(1R)-1-pyrazin-2-ylethyl]amino]methyl]pyrrolidine-1-carboxylate (PubChem CID 97175736) has the molecular formula C16H26N4O2 and a molecular weight of 306.41 g/mol. Its IUPAC name is tert-butyl (2S)-2-[[[(1R)-1-pyrazin-2-ylethyl]amino]methyl]pyrrolidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl (2S)-2-[[[(1R)-1-pyrazin-2-ylethyl]amino]methyl]pyrrolidine-1-carboxylate
PubChem CID97175736
Molecular FormulaC16H26N4O2
Molecular Weight306.41 g/mol
Exact Mass306.21
IUPAC Nametert-butyl (2S)-2-[[[(1R)-1-pyrazin-2-ylethyl]amino]methyl]pyrrolidine-1-carboxylate
SMILESC[C@@H](NC[C@@H]1CCCN1C(=O)OC(C)(C)C)c1cnccn1
InChIInChI=1S/C16H26N4O2/c1-12(14-11-17-7-8-18-14)19-10-13-6-5-9-20(13)15(21)22-16(2,3)4/h7-8,11-13,19H,5-6,9-10H2,1-4H3/t12-,13+/m1/s1
InChIKeyBYURTGIECFVICS-OLZOCXBDSA-N
XLogP2.53
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.41
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

tert-butyl (2R)-2-[[(1S)-1-pyrazin-2-ylethoxy]methyl]pyrrolidine-1-carboxylate
CID 97175905
tert-butyl (2R)-2-[(pyrazin-2-ylamino)methyl]pyrrolidine-1-carboxylate
CID 97172702
tert-butyl (2R)-2-[(pyrazin-2-ylmethylamino)methyl]pyrrolidine-1-carboxylate
CID 97172794
tert-butyl (2R)-2-[[[(1R)-1-(1,3-thiazol-2-yl)ethyl]amino]methyl]piperidine-1-carboxylate
CID 86331293
tert-butyl 2-[[1-(2-methyl-1,3-thiazol-4-yl)ethylamino]methyl]piperidine-1-carboxylate
CID 103822890
tert-butyl (2S)-2-[(pyrazine-2-carbonylamino)methyl]piperidine-1-carboxylate
CID 95376646
tert-butyl (2S)-2-[(pyridin-3-ylamino)methyl]pyrrolidine-1-carboxylate
CID 10564494
tert-butyl 2-[[1-(5-bromofuran-2-yl)ethylamino]methyl]pyrrolidine-1-carboxylate
CID 107093651
tert-butyl 4-[[(1S)-1-pyrazin-2-ylethyl]amino]piperidine-1-carboxylate
CID 97175693
tert-butyl (2R)-2-[(propan-2-ylamino)methyl]piperidine-1-carboxylate
CID 86329026
tert-butyl 2-[(1-thieno[3,2-b]pyridin-6-ylethylamino)methyl]pyrrolidine-1-carboxylate
CID 113261329
tert-butyl 2-[[methyl(pyrazin-2-yl)amino]methyl]pyrrolidine-1-carboxylate
CID 71647694

Frequently Asked Questions

What is the IUPAC name of tert-butyl (2S)-2-[[[(1R)-1-pyrazin-2-ylethyl]amino]methyl]pyrrolidine-1-carboxylate?
The IUPAC name of tert-butyl (2S)-2-[[[(1R)-1-pyrazin-2-ylethyl]amino]methyl]pyrrolidine-1-carboxylate (CID 97175736) is tert-butyl (2S)-2-[[[(1R)-1-pyrazin-2-ylethyl]amino]methyl]pyrrolidine-1-carboxylate.
What is the SMILES notation for tert-butyl (2S)-2-[[[(1R)-1-pyrazin-2-ylethyl]amino]methyl]pyrrolidine-1-carboxylate?
The canonical SMILES for tert-butyl (2S)-2-[[[(1R)-1-pyrazin-2-ylethyl]amino]methyl]pyrrolidine-1-carboxylate is C[C@@H](NC[C@@H]1CCCN1C(=O)OC(C)(C)C)c1cnccn1.
What is the InChIKey of tert-butyl (2S)-2-[[[(1R)-1-pyrazin-2-ylethyl]amino]methyl]pyrrolidine-1-carboxylate?
The InChIKey is BYURTGIECFVICS-OLZOCXBDSA-N. The full InChI is InChI=1S/C16H26N4O2/c1-12(14-11-17-7-8-18-14)19-10-13-6-5-9-20(13)15(21)22-16(2,3)4/h7-8,11-13,19H,5-6,9-10H2,1-4H3/t12-,13+/m1/s1.
What are the key properties of tert-butyl (2S)-2-[[[(1R)-1-pyrazin-2-ylethyl]amino]methyl]pyrrolidine-1-carboxylate?
tert-butyl (2S)-2-[[[(1R)-1-pyrazin-2-ylethyl]amino]methyl]pyrrolidine-1-carboxylate has a molecular weight of 306.41 g/mol, XLogP of 2.53, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (2S)-2-[[[(1R)-1-pyrazin-2-ylethyl]amino]methyl]pyrrolidine-1-carboxylate is sourced from PubChem (CID 97175736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).