2-[1-(quinoxaline-5-carbonyl)azetidin-3-yl]propanoic acid

C15H15N3O3 — CID 116681422

IUPAC2-[1-(quinoxaline-5-carbonyl)azetidin-3-yl]propanoic acid
SMILESCC(C(=O)O)C1CN(C(=O)c2cccc3nccnc23)C1
InChIInChI=1S/C15H15N3O3/c1-9(15(20)21)10-7-18(8-10)14(19)11-3-2-4-12-13(11)17-6-5-16-12/h2-6,9-10H,7-8H2,1H3,(H,20,21)
InChIKeyBMSKRMNLWNIQSS-UHFFFAOYSA-N
MW285.30 g/mol
LogP1.42
Rot. Bonds3

About 2-[1-(quinoxaline-5-carbonyl)azetidin-3-yl]propanoic acid

2-[1-(quinoxaline-5-carbonyl)azetidin-3-yl]propanoic acid (PubChem CID 116681422) has the molecular formula C15H15N3O3 and a molecular weight of 285.30 g/mol. Its IUPAC name is 2-[1-(quinoxaline-5-carbonyl)azetidin-3-yl]propanoic acid.

Molecular Properties

Compound Name2-[1-(quinoxaline-5-carbonyl)azetidin-3-yl]propanoic acid
PubChem CID116681422
Molecular FormulaC15H15N3O3
Molecular Weight285.30 g/mol
Exact Mass285.11
IUPAC Name2-[1-(quinoxaline-5-carbonyl)azetidin-3-yl]propanoic acid
SMILESCC(C(=O)O)C1CN(C(=O)c2cccc3nccnc23)C1
InChIInChI=1S/C15H15N3O3/c1-9(15(20)21)10-7-18(8-10)14(19)11-3-2-4-12-13(11)17-6-5-16-12/h2-6,9-10H,7-8H2,1H3,(H,20,21)
InChIKeyBMSKRMNLWNIQSS-UHFFFAOYSA-N
XLogP1.42
TPSA83.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.30
LogP ≤ 51.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[1-(quinoxaline-5-carbonyl)azetidin-3-yl]propanoic acid?
The IUPAC name of 2-[1-(quinoxaline-5-carbonyl)azetidin-3-yl]propanoic acid (CID 116681422) is 2-[1-(quinoxaline-5-carbonyl)azetidin-3-yl]propanoic acid.
What is the SMILES notation for 2-[1-(quinoxaline-5-carbonyl)azetidin-3-yl]propanoic acid?
The canonical SMILES for 2-[1-(quinoxaline-5-carbonyl)azetidin-3-yl]propanoic acid is CC(C(=O)O)C1CN(C(=O)c2cccc3nccnc23)C1.
What is the InChIKey of 2-[1-(quinoxaline-5-carbonyl)azetidin-3-yl]propanoic acid?
The InChIKey is BMSKRMNLWNIQSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3O3/c1-9(15(20)21)10-7-18(8-10)14(19)11-3-2-4-12-13(11)17-6-5-16-12/h2-6,9-10H,7-8H2,1H3,(H,20,21).
What are the key properties of 2-[1-(quinoxaline-5-carbonyl)azetidin-3-yl]propanoic acid?
2-[1-(quinoxaline-5-carbonyl)azetidin-3-yl]propanoic acid has a molecular weight of 285.30 g/mol, XLogP of 1.42, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(quinoxaline-5-carbonyl)azetidin-3-yl]propanoic acid is sourced from PubChem (CID 116681422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).