benzyl (2S)-4-(2-methoxy-2-oxoethyl)-2-[(2-methylpropan-2-yl)oxymethyl]-3-oxo-2H-pyrazine-1-carboxylate

C20H26N2O6 — CID 15342576

IUPACbenzyl (2S)-4-(2-methoxy-2-oxoethyl)-2-[(2-methylpropan-2-yl)oxymethyl]-3-oxo-2H-pyrazine-1-carboxylate
SMILESCOC(=O)CN1C=CN(C(=O)OCc2ccccc2)[C@@H](COC(C)(C)C)C1=O
InChIInChI=1S/C20H26N2O6/c1-20(2,3)28-14-16-18(24)21(12-17(23)26-4)10-11-22(16)19(25)27-13-15-8-6-5-7-9-15/h5-11,16H,12-14H2,1-4H3/t16-/m0/s1
InChIKeyNMVCPWIDLCAJGR-INIZCTEOSA-N
MW390.44 g/mol
LogP2.30
Rot. Bonds6

About benzyl (2S)-4-(2-methoxy-2-oxoethyl)-2-[(2-methylpropan-2-yl)oxymethyl]-3-oxo-2H-pyrazine-1-carboxylate

benzyl (2S)-4-(2-methoxy-2-oxoethyl)-2-[(2-methylpropan-2-yl)oxymethyl]-3-oxo-2H-pyrazine-1-carboxylate (PubChem CID 15342576) has the molecular formula C20H26N2O6 and a molecular weight of 390.44 g/mol. Its IUPAC name is benzyl (2S)-4-(2-methoxy-2-oxoethyl)-2-[(2-methylpropan-2-yl)oxymethyl]-3-oxo-2H-pyrazine-1-carboxylate.

Molecular Properties

Compound Namebenzyl (2S)-4-(2-methoxy-2-oxoethyl)-2-[(2-methylpropan-2-yl)oxymethyl]-3-oxo-2H-pyrazine-1-carboxylate
PubChem CID15342576
Molecular FormulaC20H26N2O6
Molecular Weight390.44 g/mol
Exact Mass390.18
IUPAC Namebenzyl (2S)-4-(2-methoxy-2-oxoethyl)-2-[(2-methylpropan-2-yl)oxymethyl]-3-oxo-2H-pyrazine-1-carboxylate
SMILESCOC(=O)CN1C=CN(C(=O)OCc2ccccc2)[C@@H](COC(C)(C)C)C1=O
InChIInChI=1S/C20H26N2O6/c1-20(2,3)28-14-16-18(24)21(12-17(23)26-4)10-11-22(16)19(25)27-13-15-8-6-5-7-9-15/h5-11,16H,12-14H2,1-4H3/t16-/m0/s1
InChIKeyNMVCPWIDLCAJGR-INIZCTEOSA-N
XLogP2.30
TPSA85.38 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.44
LogP ≤ 52.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze benzyl (2S)-4-(2-methoxy-2-oxoethyl)-2-[(2-methylpropan-2-yl)oxymethyl]-3-oxo-2H-pyrazine-1-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

benzyl 2-(2-methoxy-2-oxoethyl)-4-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]-3-oxo-2H-pyrazine-1-carboxylate
CID 22013809
1-O-benzyl 4-O-methyl 2-[(2-methylpropan-2-yl)oxymethyl]-3-oxo-2H-pyrrole-1,4-dicarboxylate
CID 102228287
benzyl (2S)-4-(2-methoxy-2-oxoethyl)-2-[3-[(2-methylpropan-2-yl)oxy]-3-oxopropyl]-3-oxopiperazine-1-carboxylate
CID 10694128
benzyl (2S)-2-benzyl-4-[[3-[(2-methylpropan-2-yl)oxycarbonyl]-1,2-dihydroimidazol-5-yl]methyl]-3-oxo-2H-pyrazine-1-carboxylate
CID 10185589
methyl 2-[(2S,5S)-5-(2-methoxy-2-oxoethyl)-3,6-dioxo-1,4-bis(2-oxo-2-phenylmethoxyethyl)piperazin-2-yl]acetate
CID 11215029
benzyl (2R)-2-benzyl-4-[(5-methyl-3-tritylimidazol-4-yl)methyl]-3-oxo-2H-pyrazine-1-carboxylate
CID 11549206
methyl 2-[7-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]-4,10-bis(2-oxo-2-phenylmethoxyethyl)-1,4,7,10-tetrazacyclododec-1-yl]acetate
CID 118103309
benzyl (2S)-2-benzyl-3-oxo-4-[(E)-3-(1-tritylimidazol-4-yl)prop-2-enyl]-2H-pyrazine-1-carboxylate
CID 11542046
benzyl (2S)-4-[4-(2-ethoxy-2-oxoethoxy)phenyl]-2-[(4-methoxyphenyl)methyl]-3-oxo-2H-pyrazine-1-carboxylate
CID 18395952
benzyl 2-[2-[(2-methylpropan-2-yl)oxy]ethylamino]acetate
CID 118525620
benzyl (3R)-3-(hydroxymethyl)-2-oxo-1,3-dihydropyrazine-4-carboxylate
CID 166045382
benzyl 4-[(2-methoxy-2-oxoethyl)carbamoyl]piperidine-1-carboxylate
CID 3776046

Frequently Asked Questions

What is the IUPAC name of benzyl (2S)-4-(2-methoxy-2-oxoethyl)-2-[(2-methylpropan-2-yl)oxymethyl]-3-oxo-2H-pyrazine-1-carboxylate?
The IUPAC name of benzyl (2S)-4-(2-methoxy-2-oxoethyl)-2-[(2-methylpropan-2-yl)oxymethyl]-3-oxo-2H-pyrazine-1-carboxylate (CID 15342576) is benzyl (2S)-4-(2-methoxy-2-oxoethyl)-2-[(2-methylpropan-2-yl)oxymethyl]-3-oxo-2H-pyrazine-1-carboxylate.
What is the SMILES notation for benzyl (2S)-4-(2-methoxy-2-oxoethyl)-2-[(2-methylpropan-2-yl)oxymethyl]-3-oxo-2H-pyrazine-1-carboxylate?
The canonical SMILES for benzyl (2S)-4-(2-methoxy-2-oxoethyl)-2-[(2-methylpropan-2-yl)oxymethyl]-3-oxo-2H-pyrazine-1-carboxylate is COC(=O)CN1C=CN(C(=O)OCc2ccccc2)[C@@H](COC(C)(C)C)C1=O.
What is the InChIKey of benzyl (2S)-4-(2-methoxy-2-oxoethyl)-2-[(2-methylpropan-2-yl)oxymethyl]-3-oxo-2H-pyrazine-1-carboxylate?
The InChIKey is NMVCPWIDLCAJGR-INIZCTEOSA-N. The full InChI is InChI=1S/C20H26N2O6/c1-20(2,3)28-14-16-18(24)21(12-17(23)26-4)10-11-22(16)19(25)27-13-15-8-6-5-7-9-15/h5-11,16H,12-14H2,1-4H3/t16-/m0/s1.
What are the key properties of benzyl (2S)-4-(2-methoxy-2-oxoethyl)-2-[(2-methylpropan-2-yl)oxymethyl]-3-oxo-2H-pyrazine-1-carboxylate?
benzyl (2S)-4-(2-methoxy-2-oxoethyl)-2-[(2-methylpropan-2-yl)oxymethyl]-3-oxo-2H-pyrazine-1-carboxylate has a molecular weight of 390.44 g/mol, XLogP of 2.30, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl (2S)-4-(2-methoxy-2-oxoethyl)-2-[(2-methylpropan-2-yl)oxymethyl]-3-oxo-2H-pyrazine-1-carboxylate is sourced from PubChem (CID 15342576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).