1-(quinoxaline-5-carbonyl)azetidine-3-carboxylic acid

C13H11N3O3 — CID 113433187

IUPAC1-(quinoxaline-5-carbonyl)azetidine-3-carboxylic acid
SMILESO=C(O)C1CN(C(=O)c2cccc3nccnc23)C1
InChIInChI=1S/C13H11N3O3/c17-12(16-6-8(7-16)13(18)19)9-2-1-3-10-11(9)15-5-4-14-10/h1-5,8H,6-7H2,(H,18,19)
InChIKeyPAMOPNCIAUBTRY-UHFFFAOYSA-N
MW257.25 g/mol
LogP0.79
Rot. Bonds2

About 1-(quinoxaline-5-carbonyl)azetidine-3-carboxylic acid

1-(quinoxaline-5-carbonyl)azetidine-3-carboxylic acid (PubChem CID 113433187) has the molecular formula C13H11N3O3 and a molecular weight of 257.25 g/mol. Its IUPAC name is 1-(quinoxaline-5-carbonyl)azetidine-3-carboxylic acid.

Molecular Properties

Compound Name1-(quinoxaline-5-carbonyl)azetidine-3-carboxylic acid
PubChem CID113433187
Molecular FormulaC13H11N3O3
Molecular Weight257.25 g/mol
Exact Mass257.08
IUPAC Name1-(quinoxaline-5-carbonyl)azetidine-3-carboxylic acid
SMILESO=C(O)C1CN(C(=O)c2cccc3nccnc23)C1
InChIInChI=1S/C13H11N3O3/c17-12(16-6-8(7-16)13(18)19)9-2-1-3-10-11(9)15-5-4-14-10/h1-5,8H,6-7H2,(H,18,19)
InChIKeyPAMOPNCIAUBTRY-UHFFFAOYSA-N
XLogP0.79
TPSA83.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.25
LogP ≤ 50.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(quinoxaline-5-carbonyl)piperidine-3-carboxylic acid
CID 104614062
2-[1-(quinoxaline-5-carbonyl)azetidin-3-yl]propanoic acid
CID 116681422
(4-chloropiperidin-1-yl)-quinoxalin-5-ylmethanone
CID 113433257
[(3S,4R)-3-amino-4-cyclopropylpyrrolidin-1-yl]-quinoxalin-5-ylmethanone
CID 133123200
(2R)-1-(quinoxaline-5-carbonyl)piperidine-2-carboxylic acid
CID 104614152
3,9-diazabicyclo[4.2.1]nonan-3-yl(quinoxalin-5-yl)methanone
CID 104615547
[(2S,6R)-2-tert-butyl-6-phenylmorpholin-4-yl]-quinoxalin-5-ylmethanone
CID 157018261
[3-(aminomethyl)piperidin-1-yl]-quinoxalin-5-ylmethanone
CID 104614000
(2-methoxyphenyl)-[1-(quinoxaline-5-carbonyl)piperidin-3-yl]methanone
CID 45180688
3-methyl-1-(quinoxaline-5-carbonyl)pyrrolidine-2-carboxylic acid
CID 102775875
3-(quinoxaline-5-carbonylamino)cyclopentane-1-carboxylic acid
CID 104614148
[2-(cyclohexylmethyl)morpholin-4-yl]-quinoxalin-5-ylmethanone
CID 45246737

Frequently Asked Questions

What is the IUPAC name of 1-(quinoxaline-5-carbonyl)azetidine-3-carboxylic acid?
The IUPAC name of 1-(quinoxaline-5-carbonyl)azetidine-3-carboxylic acid (CID 113433187) is 1-(quinoxaline-5-carbonyl)azetidine-3-carboxylic acid.
What is the SMILES notation for 1-(quinoxaline-5-carbonyl)azetidine-3-carboxylic acid?
The canonical SMILES for 1-(quinoxaline-5-carbonyl)azetidine-3-carboxylic acid is O=C(O)C1CN(C(=O)c2cccc3nccnc23)C1.
What is the InChIKey of 1-(quinoxaline-5-carbonyl)azetidine-3-carboxylic acid?
The InChIKey is PAMOPNCIAUBTRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11N3O3/c17-12(16-6-8(7-16)13(18)19)9-2-1-3-10-11(9)15-5-4-14-10/h1-5,8H,6-7H2,(H,18,19).
What are the key properties of 1-(quinoxaline-5-carbonyl)azetidine-3-carboxylic acid?
1-(quinoxaline-5-carbonyl)azetidine-3-carboxylic acid has a molecular weight of 257.25 g/mol, XLogP of 0.79, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(quinoxaline-5-carbonyl)azetidine-3-carboxylic acid is sourced from PubChem (CID 113433187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).