benzyl N-[(1S)-1-(2-methyl-2,3-dihydropyrazin-5-yl)ethyl]carbamate

C15H19N3O2 — CID 10659854

IUPACbenzyl N-[(1S)-1-(2-methyl-2,3-dihydropyrazin-5-yl)ethyl]carbamate
SMILESCC1CN=C([C@H](C)NC(=O)OCc2ccccc2)C=N1
InChIInChI=1S/C15H19N3O2/c1-11-8-17-14(9-16-11)12(2)18-15(19)20-10-13-6-4-3-5-7-13/h3-7,9,11-12H,8,10H2,1-2H3,(H,18,19)/t11?,12-/m0/s1
InChIKeyJIXCVYXHJKWMMZ-KIYNQFGBSA-N
MW273.34 g/mol
LogP2.22
Rot. Bonds4

About benzyl N-[(1S)-1-(2-methyl-2,3-dihydropyrazin-5-yl)ethyl]carbamate

benzyl N-[(1S)-1-(2-methyl-2,3-dihydropyrazin-5-yl)ethyl]carbamate (PubChem CID 10659854) has the molecular formula C15H19N3O2 and a molecular weight of 273.34 g/mol. Its IUPAC name is benzyl N-[(1S)-1-(2-methyl-2,3-dihydropyrazin-5-yl)ethyl]carbamate.

Molecular Properties

Compound Namebenzyl N-[(1S)-1-(2-methyl-2,3-dihydropyrazin-5-yl)ethyl]carbamate
PubChem CID10659854
Molecular FormulaC15H19N3O2
Molecular Weight273.34 g/mol
Exact Mass273.15
IUPAC Namebenzyl N-[(1S)-1-(2-methyl-2,3-dihydropyrazin-5-yl)ethyl]carbamate
SMILESCC1CN=C([C@H](C)NC(=O)OCc2ccccc2)C=N1
InChIInChI=1S/C15H19N3O2/c1-11-8-17-14(9-16-11)12(2)18-15(19)20-10-13-6-4-3-5-7-13/h3-7,9,11-12H,8,10H2,1-2H3,(H,18,19)/t11?,12-/m0/s1
InChIKeyJIXCVYXHJKWMMZ-KIYNQFGBSA-N
XLogP2.22
TPSA63.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.34
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl (5R)-2-[(1S)-1-(phenylmethoxycarbonylamino)ethyl]-4,5-dihydro-1,3-oxazole-5-carboxylate
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benzyl N-[(3S)-1-amino-4-methyl-1-oxopentan-3-yl]carbamate
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methyl (3S)-4-methyl-3-(phenylmethoxycarbonylamino)pentanoate
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benzyl N-(1,1-dicyclopropylpropan-2-yl)carbamate
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benzyl N-(3-methylbutan-2-yl)carbamate;ethane
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benzyl N-[(1S)-1-(6-chloropyridazin-3-yl)ethyl]carbamate
CID 26370266
acetyl chloride;2-(phenylmethoxycarbonylamino)propanoic acid
CID 71437616
benzyl N-[1-(2,2-dimethylcyclopropyl)ethyl]carbamate
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2-methylpropyl 2-(2-methylpropoxy)-2-(phenylmethoxycarbonylamino)acetate
CID 10759382

Frequently Asked Questions

What is the IUPAC name of benzyl N-[(1S)-1-(2-methyl-2,3-dihydropyrazin-5-yl)ethyl]carbamate?
The IUPAC name of benzyl N-[(1S)-1-(2-methyl-2,3-dihydropyrazin-5-yl)ethyl]carbamate (CID 10659854) is benzyl N-[(1S)-1-(2-methyl-2,3-dihydropyrazin-5-yl)ethyl]carbamate.
What is the SMILES notation for benzyl N-[(1S)-1-(2-methyl-2,3-dihydropyrazin-5-yl)ethyl]carbamate?
The canonical SMILES for benzyl N-[(1S)-1-(2-methyl-2,3-dihydropyrazin-5-yl)ethyl]carbamate is CC1CN=C([C@H](C)NC(=O)OCc2ccccc2)C=N1.
What is the InChIKey of benzyl N-[(1S)-1-(2-methyl-2,3-dihydropyrazin-5-yl)ethyl]carbamate?
The InChIKey is JIXCVYXHJKWMMZ-KIYNQFGBSA-N. The full InChI is InChI=1S/C15H19N3O2/c1-11-8-17-14(9-16-11)12(2)18-15(19)20-10-13-6-4-3-5-7-13/h3-7,9,11-12H,8,10H2,1-2H3,(H,18,19)/t11?,12-/m0/s1.
What are the key properties of benzyl N-[(1S)-1-(2-methyl-2,3-dihydropyrazin-5-yl)ethyl]carbamate?
benzyl N-[(1S)-1-(2-methyl-2,3-dihydropyrazin-5-yl)ethyl]carbamate has a molecular weight of 273.34 g/mol, XLogP of 2.22, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl N-[(1S)-1-(2-methyl-2,3-dihydropyrazin-5-yl)ethyl]carbamate is sourced from PubChem (CID 10659854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).