1-(6,7-difluoroquinoxalin-2-yl)-3-methylpyrrolidine-3-carboxylic acid

C14H13F2N3O2 — CID 122052427

IUPAC1-(6,7-difluoroquinoxalin-2-yl)-3-methylpyrrolidine-3-carboxylic acid
SMILESCC1(C(=O)O)CCN(c2cnc3cc(F)c(F)cc3n2)C1
InChIInChI=1S/C14H13F2N3O2/c1-14(13(20)21)2-3-19(7-14)12-6-17-10-4-8(15)9(16)5-11(10)18-12/h4-6H,2-3,7H2,1H3,(H,20,21)
InChIKeyMRHFKHGXFVPZKA-UHFFFAOYSA-N
MW293.27 g/mol
LogP2.21
Rot. Bonds2

About 1-(6,7-difluoroquinoxalin-2-yl)-3-methylpyrrolidine-3-carboxylic acid

1-(6,7-difluoroquinoxalin-2-yl)-3-methylpyrrolidine-3-carboxylic acid (PubChem CID 122052427) has the molecular formula C14H13F2N3O2 and a molecular weight of 293.27 g/mol. Its IUPAC name is 1-(6,7-difluoroquinoxalin-2-yl)-3-methylpyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name1-(6,7-difluoroquinoxalin-2-yl)-3-methylpyrrolidine-3-carboxylic acid
PubChem CID122052427
Molecular FormulaC14H13F2N3O2
Molecular Weight293.27 g/mol
Exact Mass293.10
IUPAC Name1-(6,7-difluoroquinoxalin-2-yl)-3-methylpyrrolidine-3-carboxylic acid
SMILESCC1(C(=O)O)CCN(c2cnc3cc(F)c(F)cc3n2)C1
InChIInChI=1S/C14H13F2N3O2/c1-14(13(20)21)2-3-19(7-14)12-6-17-10-4-8(15)9(16)5-11(10)18-12/h4-6H,2-3,7H2,1H3,(H,20,21)
InChIKeyMRHFKHGXFVPZKA-UHFFFAOYSA-N
XLogP2.21
TPSA66.32 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.27
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-(3-carboxy-3-methylpyrrolidin-1-yl)pyrazine-2-carboxylic acid
CID 122052353
1-(7-fluoroquinolin-2-yl)-3-methylpyrrolidine-3-carboxylic acid
CID 122052481
3-methyl-1-(6-methylsulfanylpyrazin-2-yl)pyrrolidine-3-carboxylic acid
CID 122052560
1-(6,7-difluoroquinoxalin-2-yl)piperidine-3-carboxylic acid
CID 122051206
1-(2-benzylpyrimidin-4-yl)-3-methylpyrrolidine-3-carboxylic acid
CID 122052513
1-(6-bromoquinolin-2-yl)-3-methylpyrrolidine-3-carboxylic acid
CID 122052469
1-[5-[(3,4-difluorophenyl)sulfamoyl]-2-pyridinyl]-3-methylpyrrolidine-3-carboxylic acid
CID 122052446
3-methyl-1-(2-propan-2-ylpyrimidin-4-yl)pyrrolidine-3-carboxylic acid
CID 122052448
1-(6,7-difluoroquinoxalin-2-yl)azetidin-3-ol
CID 84584086
1-[5-(difluoromethoxy)-2-pyridinyl]-3-methylpyrrolidine-3-carboxylic acid
CID 122052517
3-methyl-1-(5-nitro-2-pyridinyl)pyrrolidine-3-carboxylic acid
CID 63147135
3-methyl-1-(2-methyl-[1,2,4]triazolo[1,5-b]pyridazin-6-yl)pyrrolidine-3-carboxylic acid
CID 122052349

Frequently Asked Questions

What is the IUPAC name of 1-(6,7-difluoroquinoxalin-2-yl)-3-methylpyrrolidine-3-carboxylic acid?
The IUPAC name of 1-(6,7-difluoroquinoxalin-2-yl)-3-methylpyrrolidine-3-carboxylic acid (CID 122052427) is 1-(6,7-difluoroquinoxalin-2-yl)-3-methylpyrrolidine-3-carboxylic acid.
What is the SMILES notation for 1-(6,7-difluoroquinoxalin-2-yl)-3-methylpyrrolidine-3-carboxylic acid?
The canonical SMILES for 1-(6,7-difluoroquinoxalin-2-yl)-3-methylpyrrolidine-3-carboxylic acid is CC1(C(=O)O)CCN(c2cnc3cc(F)c(F)cc3n2)C1.
What is the InChIKey of 1-(6,7-difluoroquinoxalin-2-yl)-3-methylpyrrolidine-3-carboxylic acid?
The InChIKey is MRHFKHGXFVPZKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13F2N3O2/c1-14(13(20)21)2-3-19(7-14)12-6-17-10-4-8(15)9(16)5-11(10)18-12/h4-6H,2-3,7H2,1H3,(H,20,21).
What are the key properties of 1-(6,7-difluoroquinoxalin-2-yl)-3-methylpyrrolidine-3-carboxylic acid?
1-(6,7-difluoroquinoxalin-2-yl)-3-methylpyrrolidine-3-carboxylic acid has a molecular weight of 293.27 g/mol, XLogP of 2.21, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6,7-difluoroquinoxalin-2-yl)-3-methylpyrrolidine-3-carboxylic acid is sourced from PubChem (CID 122052427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).