2-[1-[(3-methylquinolin-2-yl)amino]cyclobutyl]acetic acid

C16H18N2O2 — CID 79846561

IUPAC2-[1-[(3-methylquinolin-2-yl)amino]cyclobutyl]acetic acid
SMILESCc1cc2ccccc2nc1NC1(CC(=O)O)CCC1
InChIInChI=1S/C16H18N2O2/c1-11-9-12-5-2-3-6-13(12)17-15(11)18-16(7-4-8-16)10-14(19)20/h2-3,5-6,9H,4,7-8,10H2,1H3,(H,17,18)(H,19,20)
InChIKeyHAPGDYGZORNWIH-UHFFFAOYSA-N
MW270.33 g/mol
LogP3.35
Rot. Bonds4

About 2-[1-[(3-methylquinolin-2-yl)amino]cyclobutyl]acetic acid

2-[1-[(3-methylquinolin-2-yl)amino]cyclobutyl]acetic acid (PubChem CID 79846561) has the molecular formula C16H18N2O2 and a molecular weight of 270.33 g/mol. Its IUPAC name is 2-[1-[(3-methylquinolin-2-yl)amino]cyclobutyl]acetic acid.

Molecular Properties

Compound Name2-[1-[(3-methylquinolin-2-yl)amino]cyclobutyl]acetic acid
PubChem CID79846561
Molecular FormulaC16H18N2O2
Molecular Weight270.33 g/mol
Exact Mass270.14
IUPAC Name2-[1-[(3-methylquinolin-2-yl)amino]cyclobutyl]acetic acid
SMILESCc1cc2ccccc2nc1NC1(CC(=O)O)CCC1
InChIInChI=1S/C16H18N2O2/c1-11-9-12-5-2-3-6-13(12)17-15(11)18-16(7-4-8-16)10-14(19)20/h2-3,5-6,9H,4,7-8,10H2,1H3,(H,17,18)(H,19,20)
InChIKeyHAPGDYGZORNWIH-UHFFFAOYSA-N
XLogP3.35
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.33
LogP ≤ 53.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[1-[(3-methylquinolin-2-yl)amino]cyclobutyl]acetic acid?
The IUPAC name of 2-[1-[(3-methylquinolin-2-yl)amino]cyclobutyl]acetic acid (CID 79846561) is 2-[1-[(3-methylquinolin-2-yl)amino]cyclobutyl]acetic acid.
What is the SMILES notation for 2-[1-[(3-methylquinolin-2-yl)amino]cyclobutyl]acetic acid?
The canonical SMILES for 2-[1-[(3-methylquinolin-2-yl)amino]cyclobutyl]acetic acid is Cc1cc2ccccc2nc1NC1(CC(=O)O)CCC1.
What is the InChIKey of 2-[1-[(3-methylquinolin-2-yl)amino]cyclobutyl]acetic acid?
The InChIKey is HAPGDYGZORNWIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O2/c1-11-9-12-5-2-3-6-13(12)17-15(11)18-16(7-4-8-16)10-14(19)20/h2-3,5-6,9H,4,7-8,10H2,1H3,(H,17,18)(H,19,20).
What are the key properties of 2-[1-[(3-methylquinolin-2-yl)amino]cyclobutyl]acetic acid?
2-[1-[(3-methylquinolin-2-yl)amino]cyclobutyl]acetic acid has a molecular weight of 270.33 g/mol, XLogP of 3.35, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[(3-methylquinolin-2-yl)amino]cyclobutyl]acetic acid is sourced from PubChem (CID 79846561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).