(2R)-2-methyl-3-quinoxalin-2-ylpropanoic acid

C12H12N2O2 — CID 124512095

IUPAC(2R)-2-methyl-3-quinoxalin-2-ylpropanoic acid
SMILESC[C@H](Cc1cnc2ccccc2n1)C(=O)O
InChIInChI=1S/C12H12N2O2/c1-8(12(15)16)6-9-7-13-10-4-2-3-5-11(10)14-9/h2-5,7-8H,6H2,1H3,(H,15,16)/t8-/m1/s1
InChIKeyCJBLYZVOLFSDLQ-MRVPVSSYSA-N
MW216.24 g/mol
LogP1.89
Rot. Bonds3

About (2R)-2-methyl-3-quinoxalin-2-ylpropanoic acid

(2R)-2-methyl-3-quinoxalin-2-ylpropanoic acid (PubChem CID 124512095) has the molecular formula C12H12N2O2 and a molecular weight of 216.24 g/mol. Its IUPAC name is (2R)-2-methyl-3-quinoxalin-2-ylpropanoic acid.

Molecular Properties

Compound Name(2R)-2-methyl-3-quinoxalin-2-ylpropanoic acid
PubChem CID124512095
Molecular FormulaC12H12N2O2
Molecular Weight216.24 g/mol
Exact Mass216.09
IUPAC Name(2R)-2-methyl-3-quinoxalin-2-ylpropanoic acid
SMILESC[C@H](Cc1cnc2ccccc2n1)C(=O)O
InChIInChI=1S/C12H12N2O2/c1-8(12(15)16)6-9-7-13-10-4-2-3-5-11(10)14-9/h2-5,7-8H,6H2,1H3,(H,15,16)/t8-/m1/s1
InChIKeyCJBLYZVOLFSDLQ-MRVPVSSYSA-N
XLogP1.89
TPSA63.08 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.24
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-quinoxalin-2-ylpropan-2-ol
CID 63201625
(2S,3R,4S)-1-quinoxalin-2-ylpentane-2,3,4-triol
CID 170858118
N-(3,3-dichlorocyclobutyl)-2-methyl-3-quinoxalin-2-ylpropanamide
CID 165352133
1-(2,2-dimethylpyrrolidin-1-yl)-2-methyl-3-quinoxalin-2-ylpropan-1-one
CID 167866721
2-methyl-3-(5,6,7,8-tetrahydroquinoxalin-2-yl)propanoic acid
CID 83837741
1-[4-(5-methoxy-2-pyridinyl)piperazin-1-yl]-2-methyl-3-quinoxalin-2-ylpropan-1-one
CID 136547047
N-ethyl-3-methyl-1-quinoxalin-2-ylbutan-2-amine
CID 63201806
2-methyl-3-(4-phenyl-2-pyridinyl)propanoic acid
CID 115009382
2-(2-bromopentyl)quinoxaline
CID 63203319
N-ethyl-1-phenyl-2-quinoxalin-2-ylethanamine
CID 63200105
carbonic acid;quinoxalin-2-amine
CID 174967362
2-(methylsulfonylmethyl)quinoxaline
CID 57254192

Frequently Asked Questions

What is the IUPAC name of (2R)-2-methyl-3-quinoxalin-2-ylpropanoic acid?
The IUPAC name of (2R)-2-methyl-3-quinoxalin-2-ylpropanoic acid (CID 124512095) is (2R)-2-methyl-3-quinoxalin-2-ylpropanoic acid.
What is the SMILES notation for (2R)-2-methyl-3-quinoxalin-2-ylpropanoic acid?
The canonical SMILES for (2R)-2-methyl-3-quinoxalin-2-ylpropanoic acid is C[C@H](Cc1cnc2ccccc2n1)C(=O)O.
What is the InChIKey of (2R)-2-methyl-3-quinoxalin-2-ylpropanoic acid?
The InChIKey is CJBLYZVOLFSDLQ-MRVPVSSYSA-N. The full InChI is InChI=1S/C12H12N2O2/c1-8(12(15)16)6-9-7-13-10-4-2-3-5-11(10)14-9/h2-5,7-8H,6H2,1H3,(H,15,16)/t8-/m1/s1.
What are the key properties of (2R)-2-methyl-3-quinoxalin-2-ylpropanoic acid?
(2R)-2-methyl-3-quinoxalin-2-ylpropanoic acid has a molecular weight of 216.24 g/mol, XLogP of 1.89, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-methyl-3-quinoxalin-2-ylpropanoic acid is sourced from PubChem (CID 124512095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).