2-methyl-2-[(2-methylquinolin-4-yl)methyl]pentanoic acid

C17H21NO2 — CID 79425470

IUPAC2-methyl-2-[(2-methylquinolin-4-yl)methyl]pentanoic acid
SMILESCCCC(C)(Cc1cc(C)nc2ccccc12)C(=O)O
InChIInChI=1S/C17H21NO2/c1-4-9-17(3,16(19)20)11-13-10-12(2)18-15-8-6-5-7-14(13)15/h5-8,10H,4,9,11H2,1-3H3,(H,19,20)
InChIKeyALRVNIJYEMIOJP-UHFFFAOYSA-N
MW271.36 g/mol
LogP3.98
Rot. Bonds5

About 2-methyl-2-[(2-methylquinolin-4-yl)methyl]pentanoic acid

2-methyl-2-[(2-methylquinolin-4-yl)methyl]pentanoic acid (PubChem CID 79425470) has the molecular formula C17H21NO2 and a molecular weight of 271.36 g/mol. Its IUPAC name is 2-methyl-2-[(2-methylquinolin-4-yl)methyl]pentanoic acid.

Molecular Properties

Compound Name2-methyl-2-[(2-methylquinolin-4-yl)methyl]pentanoic acid
PubChem CID79425470
Molecular FormulaC17H21NO2
Molecular Weight271.36 g/mol
Exact Mass271.16
IUPAC Name2-methyl-2-[(2-methylquinolin-4-yl)methyl]pentanoic acid
SMILESCCCC(C)(Cc1cc(C)nc2ccccc12)C(=O)O
InChIInChI=1S/C17H21NO2/c1-4-9-17(3,16(19)20)11-13-10-12(2)18-15-8-6-5-7-14(13)15/h5-8,10H,4,9,11H2,1-3H3,(H,19,20)
InChIKeyALRVNIJYEMIOJP-UHFFFAOYSA-N
XLogP3.98
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.36
LogP ≤ 53.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-ethyl-2-[(2-methylquinolin-4-yl)methyl]butanoic acid
CID 79425482
2-(2-methylquinolin-4-yl)acetic acid
CID 79019861
2-[ethyl-[(2-methylquinolin-4-yl)methyl]amino]-2-methylpropanoic acid
CID 79234102
1-(2-methylquinolin-4-yl)hexan-3-one
CID 79429367
2-(aminomethyl)-3-methyl-2-[(2-methylquinolin-4-yl)methyl]butanoic acid
CID 106488509
3,3-dimethyl-2-[(2-methylquinolin-4-yl)methyl]butanoic acid
CID 83136004
3-methyl-2-[(2-methylquinolin-4-yl)methyl]butanoic acid
CID 79426193
2-[tert-butyl-[(2-methylquinolin-4-yl)methyl]amino]acetic acid
CID 79262765
2-methyl-2-[(2-methylquinolin-4-yl)methylamino]propanamide
CID 79234871
2-[carboxymethyl-[(2-methylquinolin-4-yl)methyl]amino]acetic acid
CID 79234105
4-hexyl-2-methylquinoline
CID 12861362
2-[(3,4-dimethylphenyl)methyl]-2-methylpentanoic acid
CID 62739730

Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-[(2-methylquinolin-4-yl)methyl]pentanoic acid?
The IUPAC name of 2-methyl-2-[(2-methylquinolin-4-yl)methyl]pentanoic acid (CID 79425470) is 2-methyl-2-[(2-methylquinolin-4-yl)methyl]pentanoic acid.
What is the SMILES notation for 2-methyl-2-[(2-methylquinolin-4-yl)methyl]pentanoic acid?
The canonical SMILES for 2-methyl-2-[(2-methylquinolin-4-yl)methyl]pentanoic acid is CCCC(C)(Cc1cc(C)nc2ccccc12)C(=O)O.
What is the InChIKey of 2-methyl-2-[(2-methylquinolin-4-yl)methyl]pentanoic acid?
The InChIKey is ALRVNIJYEMIOJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21NO2/c1-4-9-17(3,16(19)20)11-13-10-12(2)18-15-8-6-5-7-14(13)15/h5-8,10H,4,9,11H2,1-3H3,(H,19,20).
What are the key properties of 2-methyl-2-[(2-methylquinolin-4-yl)methyl]pentanoic acid?
2-methyl-2-[(2-methylquinolin-4-yl)methyl]pentanoic acid has a molecular weight of 271.36 g/mol, XLogP of 3.98, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-[(2-methylquinolin-4-yl)methyl]pentanoic acid is sourced from PubChem (CID 79425470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).