2-[(6,7-difluoroquinoxalin-2-yl)amino]pentanoic acid

C13H13F2N3O2 — CID 122060632

IUPAC2-[(6,7-difluoroquinoxalin-2-yl)amino]pentanoic acid
SMILESCCCC(Nc1cnc2cc(F)c(F)cc2n1)C(=O)O
InChIInChI=1S/C13H13F2N3O2/c1-2-3-9(13(19)20)17-12-6-16-10-4-7(14)8(15)5-11(10)18-12/h4-6,9H,2-3H2,1H3,(H,17,18)(H,19,20)
InChIKeyUBNNRKGOHLCKHU-UHFFFAOYSA-N
MW281.26 g/mol
LogP2.57
Rot. Bonds5

About 2-[(6,7-difluoroquinoxalin-2-yl)amino]pentanoic acid

2-[(6,7-difluoroquinoxalin-2-yl)amino]pentanoic acid (PubChem CID 122060632) has the molecular formula C13H13F2N3O2 and a molecular weight of 281.26 g/mol. Its IUPAC name is 2-[(6,7-difluoroquinoxalin-2-yl)amino]pentanoic acid.

Molecular Properties

Compound Name2-[(6,7-difluoroquinoxalin-2-yl)amino]pentanoic acid
PubChem CID122060632
Molecular FormulaC13H13F2N3O2
Molecular Weight281.26 g/mol
Exact Mass281.10
IUPAC Name2-[(6,7-difluoroquinoxalin-2-yl)amino]pentanoic acid
SMILESCCCC(Nc1cnc2cc(F)c(F)cc2n1)C(=O)O
InChIInChI=1S/C13H13F2N3O2/c1-2-3-9(13(19)20)17-12-6-16-10-4-7(14)8(15)5-11(10)18-12/h4-6,9H,2-3H2,1H3,(H,17,18)(H,19,20)
InChIKeyUBNNRKGOHLCKHU-UHFFFAOYSA-N
XLogP2.57
TPSA75.11 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.26
LogP ≤ 52.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(5-fluoropyrimidin-2-yl)amino]pentanoic acid
CID 104605858
2-[(6-methoxycarbonylpyrazin-2-yl)amino]pentanoic acid
CID 66454589
2-[(7-fluoro-1,5-naphthyridin-4-yl)amino]pentanoic acid
CID 122060497
2-[(4-carbamoylquinolin-2-yl)amino]pentanoic acid
CID 63886576
2-[(5-methoxycarbonylpyrimidin-2-yl)amino]pentanoic acid
CID 122060521
2-[(4-carbamoyl-2-pyridinyl)amino]pentanoic acid
CID 43631313
2-[(6-methylpyridazin-3-yl)amino]pentanoic acid
CID 114989428
2-[(2-methylquinolin-4-yl)amino]pentanoic acid
CID 43631351
2-(3-bromo-4-fluoroanilino)pentanoic acid
CID 104777722
2-[[6-(2-ethoxy-2-oxoethyl)sulfanylpyrazin-2-yl]amino]pentanoic acid
CID 122060719
(2S)-2-(3,5-dimethylanilino)pentanoic acid
CID 40788515
2-[[(6,7-difluoroquinoxalin-2-yl)amino]methyl]-4-methylpiperazine-1-carboxylic acid
CID 70037628

Frequently Asked Questions

What is the IUPAC name of 2-[(6,7-difluoroquinoxalin-2-yl)amino]pentanoic acid?
The IUPAC name of 2-[(6,7-difluoroquinoxalin-2-yl)amino]pentanoic acid (CID 122060632) is 2-[(6,7-difluoroquinoxalin-2-yl)amino]pentanoic acid.
What is the SMILES notation for 2-[(6,7-difluoroquinoxalin-2-yl)amino]pentanoic acid?
The canonical SMILES for 2-[(6,7-difluoroquinoxalin-2-yl)amino]pentanoic acid is CCCC(Nc1cnc2cc(F)c(F)cc2n1)C(=O)O.
What is the InChIKey of 2-[(6,7-difluoroquinoxalin-2-yl)amino]pentanoic acid?
The InChIKey is UBNNRKGOHLCKHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13F2N3O2/c1-2-3-9(13(19)20)17-12-6-16-10-4-7(14)8(15)5-11(10)18-12/h4-6,9H,2-3H2,1H3,(H,17,18)(H,19,20).
What are the key properties of 2-[(6,7-difluoroquinoxalin-2-yl)amino]pentanoic acid?
2-[(6,7-difluoroquinoxalin-2-yl)amino]pentanoic acid has a molecular weight of 281.26 g/mol, XLogP of 2.57, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(6,7-difluoroquinoxalin-2-yl)amino]pentanoic acid is sourced from PubChem (CID 122060632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).