2-[4-(3-methylquinoxalin-2-yl)piperazin-1-yl]propanoic acid

C16H20N4O2 — CID 82167536

IUPAC2-[4-(3-methylquinoxalin-2-yl)piperazin-1-yl]propanoic acid
SMILESCc1nc2ccccc2nc1N1CCN(C(C)C(=O)O)CC1
InChIInChI=1S/C16H20N4O2/c1-11-15(18-14-6-4-3-5-13(14)17-11)20-9-7-19(8-10-20)12(2)16(21)22/h3-6,12H,7-10H2,1-2H3,(H,21,22)
InChIKeyOWDRGNGGEWCVJJ-UHFFFAOYSA-N
MW300.36 g/mol
LogP1.53
Rot. Bonds3

About 2-[4-(3-methylquinoxalin-2-yl)piperazin-1-yl]propanoic acid

2-[4-(3-methylquinoxalin-2-yl)piperazin-1-yl]propanoic acid (PubChem CID 82167536) has the molecular formula C16H20N4O2 and a molecular weight of 300.36 g/mol. Its IUPAC name is 2-[4-(3-methylquinoxalin-2-yl)piperazin-1-yl]propanoic acid.

Molecular Properties

Compound Name2-[4-(3-methylquinoxalin-2-yl)piperazin-1-yl]propanoic acid
PubChem CID82167536
Molecular FormulaC16H20N4O2
Molecular Weight300.36 g/mol
Exact Mass300.16
IUPAC Name2-[4-(3-methylquinoxalin-2-yl)piperazin-1-yl]propanoic acid
SMILESCc1nc2ccccc2nc1N1CCN(C(C)C(=O)O)CC1
InChIInChI=1S/C16H20N4O2/c1-11-15(18-14-6-4-3-5-13(14)17-11)20-9-7-19(8-10-20)12(2)16(21)22/h3-6,12H,7-10H2,1-2H3,(H,21,22)
InChIKeyOWDRGNGGEWCVJJ-UHFFFAOYSA-N
XLogP1.53
TPSA69.56 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.36
LogP ≤ 51.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(3-methylquinoxalin-2-yl)piperazin-1-yl]propanoic acid?
The IUPAC name of 2-[4-(3-methylquinoxalin-2-yl)piperazin-1-yl]propanoic acid (CID 82167536) is 2-[4-(3-methylquinoxalin-2-yl)piperazin-1-yl]propanoic acid.
What is the SMILES notation for 2-[4-(3-methylquinoxalin-2-yl)piperazin-1-yl]propanoic acid?
The canonical SMILES for 2-[4-(3-methylquinoxalin-2-yl)piperazin-1-yl]propanoic acid is Cc1nc2ccccc2nc1N1CCN(C(C)C(=O)O)CC1.
What is the InChIKey of 2-[4-(3-methylquinoxalin-2-yl)piperazin-1-yl]propanoic acid?
The InChIKey is OWDRGNGGEWCVJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4O2/c1-11-15(18-14-6-4-3-5-13(14)17-11)20-9-7-19(8-10-20)12(2)16(21)22/h3-6,12H,7-10H2,1-2H3,(H,21,22).
What are the key properties of 2-[4-(3-methylquinoxalin-2-yl)piperazin-1-yl]propanoic acid?
2-[4-(3-methylquinoxalin-2-yl)piperazin-1-yl]propanoic acid has a molecular weight of 300.36 g/mol, XLogP of 1.53, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(3-methylquinoxalin-2-yl)piperazin-1-yl]propanoic acid is sourced from PubChem (CID 82167536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).