tert-butyl 2-[[(3-aminoquinoxalin-2-yl)-methylamino]methyl]pyrrolidine-1-carboxylate

C19H27N5O2 — CID 71647704

IUPACtert-butyl 2-[[(3-aminoquinoxalin-2-yl)-methylamino]methyl]pyrrolidine-1-carboxylate
SMILESCN(CC1CCCN1C(=O)OC(C)(C)C)c1nc2ccccc2nc1N
InChIInChI=1S/C19H27N5O2/c1-19(2,3)26-18(25)24-11-7-8-13(24)12-23(4)17-16(20)21-14-9-5-6-10-15(14)22-17/h5-6,9-10,13H,7-8,11-12H2,1-4H3,(H2,20,21)
InChIKeyZTGWEQXFRCJNFF-UHFFFAOYSA-N
MW357.46 g/mol
LogP3.05
Rot. Bonds3

About tert-butyl 2-[[(3-aminoquinoxalin-2-yl)-methylamino]methyl]pyrrolidine-1-carboxylate

tert-butyl 2-[[(3-aminoquinoxalin-2-yl)-methylamino]methyl]pyrrolidine-1-carboxylate (PubChem CID 71647704) has the molecular formula C19H27N5O2 and a molecular weight of 357.46 g/mol. Its IUPAC name is tert-butyl 2-[[(3-aminoquinoxalin-2-yl)-methylamino]methyl]pyrrolidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 2-[[(3-aminoquinoxalin-2-yl)-methylamino]methyl]pyrrolidine-1-carboxylate
PubChem CID71647704
Molecular FormulaC19H27N5O2
Molecular Weight357.46 g/mol
Exact Mass357.22
IUPAC Nametert-butyl 2-[[(3-aminoquinoxalin-2-yl)-methylamino]methyl]pyrrolidine-1-carboxylate
SMILESCN(CC1CCCN1C(=O)OC(C)(C)C)c1nc2ccccc2nc1N
InChIInChI=1S/C19H27N5O2/c1-19(2,3)26-18(25)24-11-7-8-13(24)12-23(4)17-16(20)21-14-9-5-6-10-15(14)22-17/h5-6,9-10,13H,7-8,11-12H2,1-4H3,(H2,20,21)
InChIKeyZTGWEQXFRCJNFF-UHFFFAOYSA-N
XLogP3.05
TPSA84.58 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.46
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

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CID 97167203
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CID 97167453
tert-butyl (2S)-2-[(3-ethoxyquinoxalin-2-yl)oxymethyl]pyrrolidine-1-carboxylate
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tert-butyl 2-(quinoxalin-2-yloxymethyl)pyrrolidine-1-carboxylate
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tert-butyl (2R)-2-[(3-ethoxyquinoxalin-2-yl)oxymethyl]pyrrolidine-1-carboxylate
CID 97177765
tert-butyl 2-[[methyl(pyrazin-2-yl)amino]methyl]pyrrolidine-1-carboxylate
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tert-butyl (2S)-2-[[methyl(phenylmethoxycarbonyl)amino]methyl]pyrrolidine-1-carboxylate
CID 168883355
tert-butyl (2S)-2-[(3-methoxyquinoxalin-2-yl)oxymethyl]piperidine-1-carboxylate
CID 97168351
tert-butyl 2-(1H-benzimidazol-2-yloxymethyl)pyrrolidine-1-carboxylate
CID 71631416
tert-butyl (2R)-2-[[1H-imidazo[4,5-b]pyridin-2-yl(methyl)amino]methyl]pyrrolidine-1-carboxylate
CID 97167488
tert-butyl (2S)-2-[[2-(chloromethyl)benzimidazol-1-yl]methyl]pyrrolidine-1-carboxylate
CID 97172663
tert-butyl (2S)-2-[[methyl-(6-methylpyridazin-3-yl)amino]methyl]piperidine-1-carboxylate
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Frequently Asked Questions

What is the IUPAC name of tert-butyl 2-[[(3-aminoquinoxalin-2-yl)-methylamino]methyl]pyrrolidine-1-carboxylate?
The IUPAC name of tert-butyl 2-[[(3-aminoquinoxalin-2-yl)-methylamino]methyl]pyrrolidine-1-carboxylate (CID 71647704) is tert-butyl 2-[[(3-aminoquinoxalin-2-yl)-methylamino]methyl]pyrrolidine-1-carboxylate.
What is the SMILES notation for tert-butyl 2-[[(3-aminoquinoxalin-2-yl)-methylamino]methyl]pyrrolidine-1-carboxylate?
The canonical SMILES for tert-butyl 2-[[(3-aminoquinoxalin-2-yl)-methylamino]methyl]pyrrolidine-1-carboxylate is CN(CC1CCCN1C(=O)OC(C)(C)C)c1nc2ccccc2nc1N.
What is the InChIKey of tert-butyl 2-[[(3-aminoquinoxalin-2-yl)-methylamino]methyl]pyrrolidine-1-carboxylate?
The InChIKey is ZTGWEQXFRCJNFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N5O2/c1-19(2,3)26-18(25)24-11-7-8-13(24)12-23(4)17-16(20)21-14-9-5-6-10-15(14)22-17/h5-6,9-10,13H,7-8,11-12H2,1-4H3,(H2,20,21).
What are the key properties of tert-butyl 2-[[(3-aminoquinoxalin-2-yl)-methylamino]methyl]pyrrolidine-1-carboxylate?
tert-butyl 2-[[(3-aminoquinoxalin-2-yl)-methylamino]methyl]pyrrolidine-1-carboxylate has a molecular weight of 357.46 g/mol, XLogP of 3.05, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 2-[[(3-aminoquinoxalin-2-yl)-methylamino]methyl]pyrrolidine-1-carboxylate is sourced from PubChem (CID 71647704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).