2-[1-[(2-methylquinolin-6-yl)methyl]azetidin-3-yl]propanoic acid

C17H20N2O2 — CID 105379685

IUPAC2-[1-[(2-methylquinolin-6-yl)methyl]azetidin-3-yl]propanoic acid
SMILESCc1ccc2cc(CN3CC(C(C)C(=O)O)C3)ccc2n1
InChIInChI=1S/C17H20N2O2/c1-11-3-5-14-7-13(4-6-16(14)18-11)8-19-9-15(10-19)12(2)17(20)21/h3-7,12,15H,8-10H2,1-2H3,(H,20,21)
InChIKeyNDLLMIPFVDLTOW-UHFFFAOYSA-N
MW284.36 g/mol
LogP2.70
Rot. Bonds4

About 2-[1-[(2-methylquinolin-6-yl)methyl]azetidin-3-yl]propanoic acid

2-[1-[(2-methylquinolin-6-yl)methyl]azetidin-3-yl]propanoic acid (PubChem CID 105379685) has the molecular formula C17H20N2O2 and a molecular weight of 284.36 g/mol. Its IUPAC name is 2-[1-[(2-methylquinolin-6-yl)methyl]azetidin-3-yl]propanoic acid.

Molecular Properties

Compound Name2-[1-[(2-methylquinolin-6-yl)methyl]azetidin-3-yl]propanoic acid
PubChem CID105379685
Molecular FormulaC17H20N2O2
Molecular Weight284.36 g/mol
Exact Mass284.15
IUPAC Name2-[1-[(2-methylquinolin-6-yl)methyl]azetidin-3-yl]propanoic acid
SMILESCc1ccc2cc(CN3CC(C(C)C(=O)O)C3)ccc2n1
InChIInChI=1S/C17H20N2O2/c1-11-3-5-14-7-13(4-6-16(14)18-11)8-19-9-15(10-19)12(2)17(20)21/h3-7,12,15H,8-10H2,1-2H3,(H,20,21)
InChIKeyNDLLMIPFVDLTOW-UHFFFAOYSA-N
XLogP2.70
TPSA53.43 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.36
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[1-[(2-methylquinolin-6-yl)methyl]azetidin-3-yl]propanoic acid?
The IUPAC name of 2-[1-[(2-methylquinolin-6-yl)methyl]azetidin-3-yl]propanoic acid (CID 105379685) is 2-[1-[(2-methylquinolin-6-yl)methyl]azetidin-3-yl]propanoic acid.
What is the SMILES notation for 2-[1-[(2-methylquinolin-6-yl)methyl]azetidin-3-yl]propanoic acid?
The canonical SMILES for 2-[1-[(2-methylquinolin-6-yl)methyl]azetidin-3-yl]propanoic acid is Cc1ccc2cc(CN3CC(C(C)C(=O)O)C3)ccc2n1.
What is the InChIKey of 2-[1-[(2-methylquinolin-6-yl)methyl]azetidin-3-yl]propanoic acid?
The InChIKey is NDLLMIPFVDLTOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O2/c1-11-3-5-14-7-13(4-6-16(14)18-11)8-19-9-15(10-19)12(2)17(20)21/h3-7,12,15H,8-10H2,1-2H3,(H,20,21).
What are the key properties of 2-[1-[(2-methylquinolin-6-yl)methyl]azetidin-3-yl]propanoic acid?
2-[1-[(2-methylquinolin-6-yl)methyl]azetidin-3-yl]propanoic acid has a molecular weight of 284.36 g/mol, XLogP of 2.70, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[(2-methylquinolin-6-yl)methyl]azetidin-3-yl]propanoic acid is sourced from PubChem (CID 105379685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).