2-[ethyl-[(2-methylquinolin-4-yl)methyl]amino]-2-methylpropanoic acid

C17H22N2O2 — CID 79234102

IUPAC2-[ethyl-[(2-methylquinolin-4-yl)methyl]amino]-2-methylpropanoic acid
SMILESCCN(Cc1cc(C)nc2ccccc12)C(C)(C)C(=O)O
InChIInChI=1S/C17H22N2O2/c1-5-19(17(3,4)16(20)21)11-13-10-12(2)18-15-9-7-6-8-14(13)15/h6-10H,5,11H2,1-4H3,(H,20,21)
InChIKeyXXXQPJROEZMIHC-UHFFFAOYSA-N
MW286.38 g/mol
LogP3.23
Rot. Bonds5

About 2-[ethyl-[(2-methylquinolin-4-yl)methyl]amino]-2-methylpropanoic acid

2-[ethyl-[(2-methylquinolin-4-yl)methyl]amino]-2-methylpropanoic acid (PubChem CID 79234102) has the molecular formula C17H22N2O2 and a molecular weight of 286.38 g/mol. Its IUPAC name is 2-[ethyl-[(2-methylquinolin-4-yl)methyl]amino]-2-methylpropanoic acid.

Molecular Properties

Compound Name2-[ethyl-[(2-methylquinolin-4-yl)methyl]amino]-2-methylpropanoic acid
PubChem CID79234102
Molecular FormulaC17H22N2O2
Molecular Weight286.38 g/mol
Exact Mass286.17
IUPAC Name2-[ethyl-[(2-methylquinolin-4-yl)methyl]amino]-2-methylpropanoic acid
SMILESCCN(Cc1cc(C)nc2ccccc12)C(C)(C)C(=O)O
InChIInChI=1S/C17H22N2O2/c1-5-19(17(3,4)16(20)21)11-13-10-12(2)18-15-9-7-6-8-14(13)15/h6-10H,5,11H2,1-4H3,(H,20,21)
InChIKeyXXXQPJROEZMIHC-UHFFFAOYSA-N
XLogP3.23
TPSA53.43 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.38
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[tert-butyl-[(2-methylquinolin-4-yl)methyl]amino]acetic acid
CID 79262765
2-[carboxymethyl-[(2-methylquinolin-4-yl)methyl]amino]acetic acid
CID 79234105
2-[ethyl-[(4-oxo-3H-quinazolin-2-yl)methyl]amino]-2-methylpropanoic acid
CID 135991285
2-ethyl-2-[(2-methylquinolin-4-yl)methyl]butanoic acid
CID 79425482
2-(2-methylquinolin-4-yl)acetic acid
CID 79019861
2-[ethyl-[(6-methyl-2-pyridinyl)methyl]amino]-2-methylpropanoic acid
CID 79261729
2-methyl-2-[(2-methylquinolin-4-yl)methyl]pentanoic acid
CID 79425470
2-[1-benzofuran-3-ylmethyl(ethyl)amino]-2-methylpropanoic acid
CID 80702675
3-methyl-2-[(2-methylquinolin-4-yl)methyl]butanoic acid
CID 79426193
3,3-dimethyl-2-[(2-methylquinolin-4-yl)methyl]butanoic acid
CID 83136004
1-(2-methylquinolin-4-yl)hexan-3-one
CID 79429367
2-methyl-2-[(2-methylquinolin-4-yl)methylamino]propanamide
CID 79234871

Frequently Asked Questions

What is the IUPAC name of 2-[ethyl-[(2-methylquinolin-4-yl)methyl]amino]-2-methylpropanoic acid?
The IUPAC name of 2-[ethyl-[(2-methylquinolin-4-yl)methyl]amino]-2-methylpropanoic acid (CID 79234102) is 2-[ethyl-[(2-methylquinolin-4-yl)methyl]amino]-2-methylpropanoic acid.
What is the SMILES notation for 2-[ethyl-[(2-methylquinolin-4-yl)methyl]amino]-2-methylpropanoic acid?
The canonical SMILES for 2-[ethyl-[(2-methylquinolin-4-yl)methyl]amino]-2-methylpropanoic acid is CCN(Cc1cc(C)nc2ccccc12)C(C)(C)C(=O)O.
What is the InChIKey of 2-[ethyl-[(2-methylquinolin-4-yl)methyl]amino]-2-methylpropanoic acid?
The InChIKey is XXXQPJROEZMIHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O2/c1-5-19(17(3,4)16(20)21)11-13-10-12(2)18-15-9-7-6-8-14(13)15/h6-10H,5,11H2,1-4H3,(H,20,21).
What are the key properties of 2-[ethyl-[(2-methylquinolin-4-yl)methyl]amino]-2-methylpropanoic acid?
2-[ethyl-[(2-methylquinolin-4-yl)methyl]amino]-2-methylpropanoic acid has a molecular weight of 286.38 g/mol, XLogP of 3.23, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[ethyl-[(2-methylquinolin-4-yl)methyl]amino]-2-methylpropanoic acid is sourced from PubChem (CID 79234102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).