2-[1-(3-carbamoylquinolin-4-yl)azetidin-3-yl]acetic acid

C15H15N3O3 — CID 64617657

IUPAC2-[1-(3-carbamoylquinolin-4-yl)azetidin-3-yl]acetic acid
SMILESNC(=O)c1cnc2ccccc2c1N1CC(CC(=O)O)C1
InChIInChI=1S/C15H15N3O3/c16-15(21)11-6-17-12-4-2-1-3-10(12)14(11)18-7-9(8-18)5-13(19)20/h1-4,6,9H,5,7-8H2,(H2,16,21)(H,19,20)
InChIKeyWJUIYGVUBYHVAA-UHFFFAOYSA-N
MW285.30 g/mol
LogP1.24
Rot. Bonds4

About 2-[1-(3-carbamoylquinolin-4-yl)azetidin-3-yl]acetic acid

2-[1-(3-carbamoylquinolin-4-yl)azetidin-3-yl]acetic acid (PubChem CID 64617657) has the molecular formula C15H15N3O3 and a molecular weight of 285.30 g/mol. Its IUPAC name is 2-[1-(3-carbamoylquinolin-4-yl)azetidin-3-yl]acetic acid.

Molecular Properties

Compound Name2-[1-(3-carbamoylquinolin-4-yl)azetidin-3-yl]acetic acid
PubChem CID64617657
Molecular FormulaC15H15N3O3
Molecular Weight285.30 g/mol
Exact Mass285.11
IUPAC Name2-[1-(3-carbamoylquinolin-4-yl)azetidin-3-yl]acetic acid
SMILESNC(=O)c1cnc2ccccc2c1N1CC(CC(=O)O)C1
InChIInChI=1S/C15H15N3O3/c16-15(21)11-6-17-12-4-2-1-3-10(12)14(11)18-7-9(8-18)5-13(19)20/h1-4,6,9H,5,7-8H2,(H2,16,21)(H,19,20)
InChIKeyWJUIYGVUBYHVAA-UHFFFAOYSA-N
XLogP1.24
TPSA96.52 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.30
LogP ≤ 51.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[1-(3-carbamoylquinolin-4-yl)azetidin-3-yl]acetic acid?
The IUPAC name of 2-[1-(3-carbamoylquinolin-4-yl)azetidin-3-yl]acetic acid (CID 64617657) is 2-[1-(3-carbamoylquinolin-4-yl)azetidin-3-yl]acetic acid.
What is the SMILES notation for 2-[1-(3-carbamoylquinolin-4-yl)azetidin-3-yl]acetic acid?
The canonical SMILES for 2-[1-(3-carbamoylquinolin-4-yl)azetidin-3-yl]acetic acid is NC(=O)c1cnc2ccccc2c1N1CC(CC(=O)O)C1.
What is the InChIKey of 2-[1-(3-carbamoylquinolin-4-yl)azetidin-3-yl]acetic acid?
The InChIKey is WJUIYGVUBYHVAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3O3/c16-15(21)11-6-17-12-4-2-1-3-10(12)14(11)18-7-9(8-18)5-13(19)20/h1-4,6,9H,5,7-8H2,(H2,16,21)(H,19,20).
What are the key properties of 2-[1-(3-carbamoylquinolin-4-yl)azetidin-3-yl]acetic acid?
2-[1-(3-carbamoylquinolin-4-yl)azetidin-3-yl]acetic acid has a molecular weight of 285.30 g/mol, XLogP of 1.24, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(3-carbamoylquinolin-4-yl)azetidin-3-yl]acetic acid is sourced from PubChem (CID 64617657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).