(2S)-2-amino-3-quinoxalin-2-ylpropanoic acid

C11H11N3O2 — CID 69078046

IUPAC(2S)-2-amino-3-quinoxalin-2-ylpropanoic acid
SMILESN[C@@H](Cc1cnc2ccccc2n1)C(=O)O
InChIInChI=1S/C11H11N3O2/c12-8(11(15)16)5-7-6-13-9-3-1-2-4-10(9)14-7/h1-4,6,8H,5,12H2,(H,15,16)/t8-/m0/s1
InChIKeyAVZRALYARGQMPH-QMMMGPOBSA-N
MW217.23 g/mol
LogP0.58
Rot. Bonds3

About (2S)-2-amino-3-quinoxalin-2-ylpropanoic acid

(2S)-2-amino-3-quinoxalin-2-ylpropanoic acid (PubChem CID 69078046) has the molecular formula C11H11N3O2 and a molecular weight of 217.23 g/mol. Its IUPAC name is (2S)-2-amino-3-quinoxalin-2-ylpropanoic acid.

Molecular Properties

Compound Name(2S)-2-amino-3-quinoxalin-2-ylpropanoic acid
PubChem CID69078046
Molecular FormulaC11H11N3O2
Molecular Weight217.23 g/mol
Exact Mass217.09
IUPAC Name(2S)-2-amino-3-quinoxalin-2-ylpropanoic acid
SMILESN[C@@H](Cc1cnc2ccccc2n1)C(=O)O
InChIInChI=1S/C11H11N3O2/c12-8(11(15)16)5-7-6-13-9-3-1-2-4-10(9)14-7/h1-4,6,8H,5,12H2,(H,15,16)/t8-/m0/s1
InChIKeyAVZRALYARGQMPH-QMMMGPOBSA-N
XLogP0.58
TPSA89.10 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.23
LogP ≤ 50.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-3-quinoxalin-2-ylpropanoic acid?
The IUPAC name of (2S)-2-amino-3-quinoxalin-2-ylpropanoic acid (CID 69078046) is (2S)-2-amino-3-quinoxalin-2-ylpropanoic acid.
What is the SMILES notation for (2S)-2-amino-3-quinoxalin-2-ylpropanoic acid?
The canonical SMILES for (2S)-2-amino-3-quinoxalin-2-ylpropanoic acid is N[C@@H](Cc1cnc2ccccc2n1)C(=O)O.
What is the InChIKey of (2S)-2-amino-3-quinoxalin-2-ylpropanoic acid?
The InChIKey is AVZRALYARGQMPH-QMMMGPOBSA-N. The full InChI is InChI=1S/C11H11N3O2/c12-8(11(15)16)5-7-6-13-9-3-1-2-4-10(9)14-7/h1-4,6,8H,5,12H2,(H,15,16)/t8-/m0/s1.
What are the key properties of (2S)-2-amino-3-quinoxalin-2-ylpropanoic acid?
(2S)-2-amino-3-quinoxalin-2-ylpropanoic acid has a molecular weight of 217.23 g/mol, XLogP of 0.58, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-3-quinoxalin-2-ylpropanoic acid is sourced from PubChem (CID 69078046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).