2-[1-hydroxy-4-(4-methoxyphenyl)-2,3-dihydropyrazin-2-yl]-3-phenylpropanoic acid

C20H22N2O4 — CID 57286126

IUPAC2-[1-hydroxy-4-(4-methoxyphenyl)-2,3-dihydropyrazin-2-yl]-3-phenylpropanoic acid
SMILESCOc1ccc(N2C=CN(O)C(C(Cc3ccccc3)C(=O)O)C2)cc1
InChIInChI=1S/C20H22N2O4/c1-26-17-9-7-16(8-10-17)21-11-12-22(25)19(14-21)18(20(23)24)13-15-5-3-2-4-6-15/h2-12,18-19,25H,13-14H2,1H3,(H,23,24)
InChIKeyWZRIKFUFWMQTPV-UHFFFAOYSA-N
MW354.41 g/mol
LogP2.99
Rot. Bonds6

About 2-[1-hydroxy-4-(4-methoxyphenyl)-2,3-dihydropyrazin-2-yl]-3-phenylpropanoic acid

2-[1-hydroxy-4-(4-methoxyphenyl)-2,3-dihydropyrazin-2-yl]-3-phenylpropanoic acid (PubChem CID 57286126) has the molecular formula C20H22N2O4 and a molecular weight of 354.41 g/mol. Its IUPAC name is 2-[1-hydroxy-4-(4-methoxyphenyl)-2,3-dihydropyrazin-2-yl]-3-phenylpropanoic acid.

Molecular Properties

Compound Name2-[1-hydroxy-4-(4-methoxyphenyl)-2,3-dihydropyrazin-2-yl]-3-phenylpropanoic acid
PubChem CID57286126
Molecular FormulaC20H22N2O4
Molecular Weight354.41 g/mol
Exact Mass354.16
IUPAC Name2-[1-hydroxy-4-(4-methoxyphenyl)-2,3-dihydropyrazin-2-yl]-3-phenylpropanoic acid
SMILESCOc1ccc(N2C=CN(O)C(C(Cc3ccccc3)C(=O)O)C2)cc1
InChIInChI=1S/C20H22N2O4/c1-26-17-9-7-16(8-10-17)21-11-12-22(25)19(14-21)18(20(23)24)13-15-5-3-2-4-6-15/h2-12,18-19,25H,13-14H2,1H3,(H,23,24)
InChIKeyWZRIKFUFWMQTPV-UHFFFAOYSA-N
XLogP2.99
TPSA73.24 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.41
LogP ≤ 52.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[1-hydroxy-4-(4-methoxyphenyl)-2,3-dihydropyrazin-2-yl]-3-phenylpropanoic acid?
The IUPAC name of 2-[1-hydroxy-4-(4-methoxyphenyl)-2,3-dihydropyrazin-2-yl]-3-phenylpropanoic acid (CID 57286126) is 2-[1-hydroxy-4-(4-methoxyphenyl)-2,3-dihydropyrazin-2-yl]-3-phenylpropanoic acid.
What is the SMILES notation for 2-[1-hydroxy-4-(4-methoxyphenyl)-2,3-dihydropyrazin-2-yl]-3-phenylpropanoic acid?
The canonical SMILES for 2-[1-hydroxy-4-(4-methoxyphenyl)-2,3-dihydropyrazin-2-yl]-3-phenylpropanoic acid is COc1ccc(N2C=CN(O)C(C(Cc3ccccc3)C(=O)O)C2)cc1.
What is the InChIKey of 2-[1-hydroxy-4-(4-methoxyphenyl)-2,3-dihydropyrazin-2-yl]-3-phenylpropanoic acid?
The InChIKey is WZRIKFUFWMQTPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N2O4/c1-26-17-9-7-16(8-10-17)21-11-12-22(25)19(14-21)18(20(23)24)13-15-5-3-2-4-6-15/h2-12,18-19,25H,13-14H2,1H3,(H,23,24).
What are the key properties of 2-[1-hydroxy-4-(4-methoxyphenyl)-2,3-dihydropyrazin-2-yl]-3-phenylpropanoic acid?
2-[1-hydroxy-4-(4-methoxyphenyl)-2,3-dihydropyrazin-2-yl]-3-phenylpropanoic acid has a molecular weight of 354.41 g/mol, XLogP of 2.99, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-hydroxy-4-(4-methoxyphenyl)-2,3-dihydropyrazin-2-yl]-3-phenylpropanoic acid is sourced from PubChem (CID 57286126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).