ethyl (2R)-2-[(2R,5S)-3,6-dimethoxy-5-propan-2-yl-2,5-dihydropyrazin-2-yl]propanoate

C14H24N2O4 — CID 11346643

IUPACethyl (2R)-2-[(2R,5S)-3,6-dimethoxy-5-propan-2-yl-2,5-dihydropyrazin-2-yl]propanoate
SMILESCCOC(=O)[C@H](C)[C@H]1N=C(OC)[C@H](C(C)C)N=C1OC
InChIInChI=1S/C14H24N2O4/c1-7-20-14(17)9(4)11-13(19-6)15-10(8(2)3)12(16-11)18-5/h8-11H,7H2,1-6H3/t9-,10+,11-/m1/s1
InChIKeyQJNFTUYRKZTCCF-OUAUKWLOSA-N
MW284.36 g/mol
LogP1.68
Rot. Bonds4

About ethyl (2R)-2-[(2R,5S)-3,6-dimethoxy-5-propan-2-yl-2,5-dihydropyrazin-2-yl]propanoate

ethyl (2R)-2-[(2R,5S)-3,6-dimethoxy-5-propan-2-yl-2,5-dihydropyrazin-2-yl]propanoate (PubChem CID 11346643) has the molecular formula C14H24N2O4 and a molecular weight of 284.36 g/mol. Its IUPAC name is ethyl (2R)-2-[(2R,5S)-3,6-dimethoxy-5-propan-2-yl-2,5-dihydropyrazin-2-yl]propanoate.

Molecular Properties

Compound Nameethyl (2R)-2-[(2R,5S)-3,6-dimethoxy-5-propan-2-yl-2,5-dihydropyrazin-2-yl]propanoate
PubChem CID11346643
Molecular FormulaC14H24N2O4
Molecular Weight284.36 g/mol
Exact Mass284.17
IUPAC Nameethyl (2R)-2-[(2R,5S)-3,6-dimethoxy-5-propan-2-yl-2,5-dihydropyrazin-2-yl]propanoate
SMILESCCOC(=O)[C@H](C)[C@H]1N=C(OC)[C@H](C(C)C)N=C1OC
InChIInChI=1S/C14H24N2O4/c1-7-20-14(17)9(4)11-13(19-6)15-10(8(2)3)12(16-11)18-5/h8-11H,7H2,1-6H3/t9-,10+,11-/m1/s1
InChIKeyQJNFTUYRKZTCCF-OUAUKWLOSA-N
XLogP1.68
TPSA69.48 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.36
LogP ≤ 51.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze ethyl (2R)-2-[(2R,5S)-3,6-dimethoxy-5-propan-2-yl-2,5-dihydropyrazin-2-yl]propanoate with MolForge

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Related Compounds

methyl 2-[(2S,5R)-3,6-dimethoxy-5-propan-2-yl-2,5-dihydropyrazin-2-yl]acetate
CID 21585857
Methyl 2-(6-oxo-3-propan-2-yl-2,3-dihydro-1,4-oxazin-5-yl)acetate
CID 54011702
(3S)-3,5-di(propan-2-yl)-2,3-dihydro-1,4-oxazin-6-one
CID 10821323
ethyl 2-[(2R,5S)-3,6-dimethoxy-5-propan-2-yl-2,5-dihydropyrazin-2-yl]acetate
CID 21673920
methyl (2R)-2-[(2S,5R)-3,6-dimethoxy-5-propan-2-yl-2,5-dihydropyrazin-2-yl]propanoate
CID 21681697
Ethyl 2-(5-isopropyl-3,6-dimethoxy-2,5-dihydropyrazin-2-yl)acetate
CID 73821699
ethyl 2-((5R)-5-isopropyl-3,6-dimethoxy-2,5-dihydropyrazin-2-yl)acetate
CID 78357975
2-[2-(2-Methylpropyl)-4,5-dihydro-1,3-oxazol-4-yl]acetic acid
CID 115061108

Frequently Asked Questions

What is the IUPAC name of ethyl (2R)-2-[(2R,5S)-3,6-dimethoxy-5-propan-2-yl-2,5-dihydropyrazin-2-yl]propanoate?
The IUPAC name of ethyl (2R)-2-[(2R,5S)-3,6-dimethoxy-5-propan-2-yl-2,5-dihydropyrazin-2-yl]propanoate (CID 11346643) is ethyl (2R)-2-[(2R,5S)-3,6-dimethoxy-5-propan-2-yl-2,5-dihydropyrazin-2-yl]propanoate.
What is the SMILES notation for ethyl (2R)-2-[(2R,5S)-3,6-dimethoxy-5-propan-2-yl-2,5-dihydropyrazin-2-yl]propanoate?
The canonical SMILES for ethyl (2R)-2-[(2R,5S)-3,6-dimethoxy-5-propan-2-yl-2,5-dihydropyrazin-2-yl]propanoate is CCOC(=O)[C@H](C)[C@H]1N=C(OC)[C@H](C(C)C)N=C1OC.
What is the InChIKey of ethyl (2R)-2-[(2R,5S)-3,6-dimethoxy-5-propan-2-yl-2,5-dihydropyrazin-2-yl]propanoate?
The InChIKey is QJNFTUYRKZTCCF-OUAUKWLOSA-N. The full InChI is InChI=1S/C14H24N2O4/c1-7-20-14(17)9(4)11-13(19-6)15-10(8(2)3)12(16-11)18-5/h8-11H,7H2,1-6H3/t9-,10+,11-/m1/s1.
What are the key properties of ethyl (2R)-2-[(2R,5S)-3,6-dimethoxy-5-propan-2-yl-2,5-dihydropyrazin-2-yl]propanoate?
ethyl (2R)-2-[(2R,5S)-3,6-dimethoxy-5-propan-2-yl-2,5-dihydropyrazin-2-yl]propanoate has a molecular weight of 284.36 g/mol, XLogP of 1.68, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (2R)-2-[(2R,5S)-3,6-dimethoxy-5-propan-2-yl-2,5-dihydropyrazin-2-yl]propanoate is sourced from PubChem (CID 11346643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).