tert-butyl 6-[(2-hydroxy-1-phenylethyl)amino]-3,5-dihydro-2H-pyrazine-4-carboxylate

C17H25N3O3 — CID 103398140

IUPACtert-butyl 6-[(2-hydroxy-1-phenylethyl)amino]-3,5-dihydro-2H-pyrazine-4-carboxylate
SMILESCC(C)(C)OC(=O)N1CCN=C(NC(CO)c2ccccc2)C1
InChIInChI=1S/C17H25N3O3/c1-17(2,3)23-16(22)20-10-9-18-15(11-20)19-14(12-21)13-7-5-4-6-8-13/h4-8,14,21H,9-12H2,1-3H3,(H,18,19)
InChIKeyGAGBZKUNKPAKOU-UHFFFAOYSA-N
MW319.40 g/mol
LogP1.96
Rot. Bonds3

About tert-butyl 6-[(2-hydroxy-1-phenylethyl)amino]-3,5-dihydro-2H-pyrazine-4-carboxylate

tert-butyl 6-[(2-hydroxy-1-phenylethyl)amino]-3,5-dihydro-2H-pyrazine-4-carboxylate (PubChem CID 103398140) has the molecular formula C17H25N3O3 and a molecular weight of 319.40 g/mol. Its IUPAC name is tert-butyl 6-[(2-hydroxy-1-phenylethyl)amino]-3,5-dihydro-2H-pyrazine-4-carboxylate.

Molecular Properties

Compound Nametert-butyl 6-[(2-hydroxy-1-phenylethyl)amino]-3,5-dihydro-2H-pyrazine-4-carboxylate
PubChem CID103398140
Molecular FormulaC17H25N3O3
Molecular Weight319.40 g/mol
Exact Mass319.19
IUPAC Nametert-butyl 6-[(2-hydroxy-1-phenylethyl)amino]-3,5-dihydro-2H-pyrazine-4-carboxylate
SMILESCC(C)(C)OC(=O)N1CCN=C(NC(CO)c2ccccc2)C1
InChIInChI=1S/C17H25N3O3/c1-17(2,3)23-16(22)20-10-9-18-15(11-20)19-14(12-21)13-7-5-4-6-8-13/h4-8,14,21H,9-12H2,1-3H3,(H,18,19)
InChIKeyGAGBZKUNKPAKOU-UHFFFAOYSA-N
XLogP1.96
TPSA74.16 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.40
LogP ≤ 51.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

Carbamic acid, N-((1R)-2-hydroxy-1-phenylethyl)-, 1,1-dimethylethyl ester
CID 7016461
tert-Butyl (2-hydroxy-1-phenylethyl)carbamate
CID 5050210
(S)-2-((N-tert-Butoxycarbonyl)amino)-2-phenylethanol
CID 7016462
(R)-4-(2-hydroxy-1-phenyl-ethylamino)-piperidine-1-carboxylic acid tert-butyl ester
CID 10829535
Tert-butyl 4-[[1-(4-fluorophenyl)-2-hydroxyethyl]amino]piperidine-1-carboxylate
CID 19600490
tert-butyl 4-[[(1R)-1-(4-fluorophenyl)-2-hydroxyethyl]amino]piperidine-1-carboxylate
CID 54485837
tert-Butyl {3,3,3-trifluoro-2-[(2-hydroxy-1-phenylethyl)amino]-2-methylpropyl}carbamate
CID 86717927
2-aminopropan-2-yl N-[3,3,3-trifluoro-2-[(2-hydroxy-1-phenylethyl)amino]-2-methylpropyl]carbamate
CID 118403384
tert-butyl N-[[(2S)-1-[(1R)-2-hydroxy-1-phenylethyl]piperidin-2-yl]methyl]carbamate
CID 59571671
tert-butyl N-[(1S,2S)-2-hydroxy-1-phenylpent-4-enyl]carbamate
CID 10446218
tert-butyl N-[(1R,2R)-3-hydroxy-1-[(2-methylpropan-2-yl)oxycarbonylamino]-1-phenylpropan-2-yl]carbamate
CID 102487316
tert-butyl 6-[1-(4-fluorophenyl)ethylamino]-3,5-dihydro-2H-pyrazine-4-carboxylate
CID 103398044

Frequently Asked Questions

What is the IUPAC name of tert-butyl 6-[(2-hydroxy-1-phenylethyl)amino]-3,5-dihydro-2H-pyrazine-4-carboxylate?
The IUPAC name of tert-butyl 6-[(2-hydroxy-1-phenylethyl)amino]-3,5-dihydro-2H-pyrazine-4-carboxylate (CID 103398140) is tert-butyl 6-[(2-hydroxy-1-phenylethyl)amino]-3,5-dihydro-2H-pyrazine-4-carboxylate.
What is the SMILES notation for tert-butyl 6-[(2-hydroxy-1-phenylethyl)amino]-3,5-dihydro-2H-pyrazine-4-carboxylate?
The canonical SMILES for tert-butyl 6-[(2-hydroxy-1-phenylethyl)amino]-3,5-dihydro-2H-pyrazine-4-carboxylate is CC(C)(C)OC(=O)N1CCN=C(NC(CO)c2ccccc2)C1.
What is the InChIKey of tert-butyl 6-[(2-hydroxy-1-phenylethyl)amino]-3,5-dihydro-2H-pyrazine-4-carboxylate?
The InChIKey is GAGBZKUNKPAKOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3O3/c1-17(2,3)23-16(22)20-10-9-18-15(11-20)19-14(12-21)13-7-5-4-6-8-13/h4-8,14,21H,9-12H2,1-3H3,(H,18,19).
What are the key properties of tert-butyl 6-[(2-hydroxy-1-phenylethyl)amino]-3,5-dihydro-2H-pyrazine-4-carboxylate?
tert-butyl 6-[(2-hydroxy-1-phenylethyl)amino]-3,5-dihydro-2H-pyrazine-4-carboxylate has a molecular weight of 319.40 g/mol, XLogP of 1.96, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 6-[(2-hydroxy-1-phenylethyl)amino]-3,5-dihydro-2H-pyrazine-4-carboxylate is sourced from PubChem (CID 103398140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).