2,2-dimethyl-4-(4-methyl-2,3-dihydroquinoxalin-1-yl)butanoic acid

C15H22N2O2 — CID 65247638

IUPAC2,2-dimethyl-4-(4-methyl-2,3-dihydroquinoxalin-1-yl)butanoic acid
SMILESCN1CCN(CCC(C)(C)C(=O)O)c2ccccc21
InChIInChI=1S/C15H22N2O2/c1-15(2,14(18)19)8-9-17-11-10-16(3)12-6-4-5-7-13(12)17/h4-7H,8-11H2,1-3H3,(H,18,19)
InChIKeyRMYKSEMHJKLGHG-UHFFFAOYSA-N
MW262.35 g/mol
LogP2.44
Rot. Bonds4

About 2,2-dimethyl-4-(4-methyl-2,3-dihydroquinoxalin-1-yl)butanoic acid

2,2-dimethyl-4-(4-methyl-2,3-dihydroquinoxalin-1-yl)butanoic acid (PubChem CID 65247638) has the molecular formula C15H22N2O2 and a molecular weight of 262.35 g/mol. Its IUPAC name is 2,2-dimethyl-4-(4-methyl-2,3-dihydroquinoxalin-1-yl)butanoic acid.

Molecular Properties

Compound Name2,2-dimethyl-4-(4-methyl-2,3-dihydroquinoxalin-1-yl)butanoic acid
PubChem CID65247638
Molecular FormulaC15H22N2O2
Molecular Weight262.35 g/mol
Exact Mass262.17
IUPAC Name2,2-dimethyl-4-(4-methyl-2,3-dihydroquinoxalin-1-yl)butanoic acid
SMILESCN1CCN(CCC(C)(C)C(=O)O)c2ccccc21
InChIInChI=1S/C15H22N2O2/c1-15(2,14(18)19)8-9-17-11-10-16(3)12-6-4-5-7-13(12)17/h4-7H,8-11H2,1-3H3,(H,18,19)
InChIKeyRMYKSEMHJKLGHG-UHFFFAOYSA-N
XLogP2.44
TPSA43.78 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.35
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-methyl-4-(4-methyl-2,3-dihydroquinoxalin-1-yl)butan-2-amine
CID 64681857
4,4-dimethyl-1-(4-methyl-2,3-dihydroquinoxalin-1-yl)pentan-3-one
CID 63778227
2-(4-methyl-2,3-dihydroquinoxalin-1-yl)-1-phenylethanone
CID 63776591
2-methyl-4-(4-methyl-2,3-dihydroquinoxalin-1-yl)-2-(propan-2-ylamino)butan-1-ol
CID 64789196
2,2-dimethyl-4-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)butanoic acid
CID 65249302
2-(4-methyl-2,3-dihydroquinoxalin-1-yl)ethanamine
CID 28806962
3-(4-methyl-2,3-dihydroquinoxalin-1-yl)propanehydrazide
CID 63776813
1-(3-bromopropyl)-4-methyl-2,3-dihydroquinoxaline
CID 63777504
2-ethoxy-3-(4-methyl-2,3-dihydroquinoxalin-1-yl)propanoic acid
CID 63779171
2-(cyclopropylamino)-2-methyl-4-(4-methyl-2,3-dihydroquinoxalin-1-yl)butanenitrile
CID 63778960
1-bromo-3-(4-methyl-2,3-dihydroquinoxalin-1-yl)propan-2-ol
CID 112561690
2-amino-2-methyl-1-(4-methyl-2,3-dihydroquinoxalin-1-yl)propan-1-one
CID 55235571

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-4-(4-methyl-2,3-dihydroquinoxalin-1-yl)butanoic acid?
The IUPAC name of 2,2-dimethyl-4-(4-methyl-2,3-dihydroquinoxalin-1-yl)butanoic acid (CID 65247638) is 2,2-dimethyl-4-(4-methyl-2,3-dihydroquinoxalin-1-yl)butanoic acid.
What is the SMILES notation for 2,2-dimethyl-4-(4-methyl-2,3-dihydroquinoxalin-1-yl)butanoic acid?
The canonical SMILES for 2,2-dimethyl-4-(4-methyl-2,3-dihydroquinoxalin-1-yl)butanoic acid is CN1CCN(CCC(C)(C)C(=O)O)c2ccccc21.
What is the InChIKey of 2,2-dimethyl-4-(4-methyl-2,3-dihydroquinoxalin-1-yl)butanoic acid?
The InChIKey is RMYKSEMHJKLGHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O2/c1-15(2,14(18)19)8-9-17-11-10-16(3)12-6-4-5-7-13(12)17/h4-7H,8-11H2,1-3H3,(H,18,19).
What are the key properties of 2,2-dimethyl-4-(4-methyl-2,3-dihydroquinoxalin-1-yl)butanoic acid?
2,2-dimethyl-4-(4-methyl-2,3-dihydroquinoxalin-1-yl)butanoic acid has a molecular weight of 262.35 g/mol, XLogP of 2.44, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-4-(4-methyl-2,3-dihydroquinoxalin-1-yl)butanoic acid is sourced from PubChem (CID 65247638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).