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

C16H20N2O2 — CID 63229334

IUPAC2-[2-methylpropyl-(3-methylquinolin-2-yl)amino]acetic acid
SMILESCc1cc2ccccc2nc1N(CC(=O)O)CC(C)C
InChIInChI=1S/C16H20N2O2/c1-11(2)9-18(10-15(19)20)16-12(3)8-13-6-4-5-7-14(13)17-16/h4-8,11H,9-10H2,1-3H3,(H,19,20)
InChIKeyJMPRUWJSFXUHJM-UHFFFAOYSA-N
MW272.35 g/mol
LogP3.09
Rot. Bonds5

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

2-[2-methylpropyl-(3-methylquinolin-2-yl)amino]acetic acid (PubChem CID 63229334) has the molecular formula C16H20N2O2 and a molecular weight of 272.35 g/mol. Its IUPAC name is 2-[2-methylpropyl-(3-methylquinolin-2-yl)amino]acetic acid.

Molecular Properties

Compound Name2-[2-methylpropyl-(3-methylquinolin-2-yl)amino]acetic acid
PubChem CID63229334
Molecular FormulaC16H20N2O2
Molecular Weight272.35 g/mol
Exact Mass272.15
IUPAC Name2-[2-methylpropyl-(3-methylquinolin-2-yl)amino]acetic acid
SMILESCc1cc2ccccc2nc1N(CC(=O)O)CC(C)C
InChIInChI=1S/C16H20N2O2/c1-11(2)9-18(10-15(19)20)16-12(3)8-13-6-4-5-7-14(13)17-16/h4-8,11H,9-10H2,1-3H3,(H,19,20)
InChIKeyJMPRUWJSFXUHJM-UHFFFAOYSA-N
XLogP3.09
TPSA53.43 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.35
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[2-methylpropyl-(3-methylquinolin-2-yl)amino]acetic acid?
The IUPAC name of 2-[2-methylpropyl-(3-methylquinolin-2-yl)amino]acetic acid (CID 63229334) is 2-[2-methylpropyl-(3-methylquinolin-2-yl)amino]acetic acid.
What is the SMILES notation for 2-[2-methylpropyl-(3-methylquinolin-2-yl)amino]acetic acid?
The canonical SMILES for 2-[2-methylpropyl-(3-methylquinolin-2-yl)amino]acetic acid is Cc1cc2ccccc2nc1N(CC(=O)O)CC(C)C.
What is the InChIKey of 2-[2-methylpropyl-(3-methylquinolin-2-yl)amino]acetic acid?
The InChIKey is JMPRUWJSFXUHJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O2/c1-11(2)9-18(10-15(19)20)16-12(3)8-13-6-4-5-7-14(13)17-16/h4-8,11H,9-10H2,1-3H3,(H,19,20).
What are the key properties of 2-[2-methylpropyl-(3-methylquinolin-2-yl)amino]acetic acid?
2-[2-methylpropyl-(3-methylquinolin-2-yl)amino]acetic acid has a molecular weight of 272.35 g/mol, XLogP of 3.09, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-methylpropyl-(3-methylquinolin-2-yl)amino]acetic acid is sourced from PubChem (CID 63229334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).