2-(2-methoxyanilino)-4-methyl-2-(2-methylpropyl)pentanoic acid

C17H27NO3 — CID 114868127

IUPAC2-(2-methoxyanilino)-4-methyl-2-(2-methylpropyl)pentanoic acid
SMILESCOc1ccccc1NC(CC(C)C)(CC(C)C)C(=O)O
InChIInChI=1S/C17H27NO3/c1-12(2)10-17(16(19)20,11-13(3)4)18-14-8-6-7-9-15(14)21-5/h6-9,12-13,18H,10-11H2,1-5H3,(H,19,20)
InChIKeyQWVKSLLSMNDKHB-UHFFFAOYSA-N
MW293.41 g/mol
LogP4.02
Rot. Bonds8

About 2-(2-methoxyanilino)-4-methyl-2-(2-methylpropyl)pentanoic acid

2-(2-methoxyanilino)-4-methyl-2-(2-methylpropyl)pentanoic acid (PubChem CID 114868127) has the molecular formula C17H27NO3 and a molecular weight of 293.41 g/mol. Its IUPAC name is 2-(2-methoxyanilino)-4-methyl-2-(2-methylpropyl)pentanoic acid.

Molecular Properties

Compound Name2-(2-methoxyanilino)-4-methyl-2-(2-methylpropyl)pentanoic acid
PubChem CID114868127
Molecular FormulaC17H27NO3
Molecular Weight293.41 g/mol
Exact Mass293.20
IUPAC Name2-(2-methoxyanilino)-4-methyl-2-(2-methylpropyl)pentanoic acid
SMILESCOc1ccccc1NC(CC(C)C)(CC(C)C)C(=O)O
InChIInChI=1S/C17H27NO3/c1-12(2)10-17(16(19)20,11-13(3)4)18-14-8-6-7-9-15(14)21-5/h6-9,12-13,18H,10-11H2,1-5H3,(H,19,20)
InChIKeyQWVKSLLSMNDKHB-UHFFFAOYSA-N
XLogP4.02
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.41
LogP ≤ 54.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2-methoxyanilino)-2-propylpentanoic acid
CID 60993872
2-ethyl-2-(2-methoxyanilino)pentanoic acid
CID 114079646
2-(2-methoxyanilino)-2,4-dimethylpentanamide
CID 54892038
methyl 2-ethyl-2-(2-methoxyanilino)-4-methylhexanoate
CID 60993162
methyl 2-ethyl-2-(2-methoxyanilino)butanoate
CID 54890267
ethyl 2-ethyl-2-(2-methoxyanilino)butanoate
CID 54890504
methyl 2-(2-chloroanilino)-4-methyl-2-(2-methylpropyl)pentanoate
CID 114868098
methyl 2-(2-bromoanilino)-4-methyl-2-(2-methylpropyl)pentanoate
CID 114868116
2-(2-methoxyanilino)-2,3-dimethylbutan-1-ol
CID 62488457
1-(1-amino-2,4-dimethylpentan-2-yl)-3-(2-methoxyphenyl)urea
CID 115309853
2-(2-methoxyanilino)-3-methyl-2-phenylbutan-1-ol
CID 61048291
4,4-dimethoxy-2-(2-methoxyanilino)-2-methylbutanamide
CID 66181212

Frequently Asked Questions

What is the IUPAC name of 2-(2-methoxyanilino)-4-methyl-2-(2-methylpropyl)pentanoic acid?
The IUPAC name of 2-(2-methoxyanilino)-4-methyl-2-(2-methylpropyl)pentanoic acid (CID 114868127) is 2-(2-methoxyanilino)-4-methyl-2-(2-methylpropyl)pentanoic acid.
What is the SMILES notation for 2-(2-methoxyanilino)-4-methyl-2-(2-methylpropyl)pentanoic acid?
The canonical SMILES for 2-(2-methoxyanilino)-4-methyl-2-(2-methylpropyl)pentanoic acid is COc1ccccc1NC(CC(C)C)(CC(C)C)C(=O)O.
What is the InChIKey of 2-(2-methoxyanilino)-4-methyl-2-(2-methylpropyl)pentanoic acid?
The InChIKey is QWVKSLLSMNDKHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27NO3/c1-12(2)10-17(16(19)20,11-13(3)4)18-14-8-6-7-9-15(14)21-5/h6-9,12-13,18H,10-11H2,1-5H3,(H,19,20).
What are the key properties of 2-(2-methoxyanilino)-4-methyl-2-(2-methylpropyl)pentanoic acid?
2-(2-methoxyanilino)-4-methyl-2-(2-methylpropyl)pentanoic acid has a molecular weight of 293.41 g/mol, XLogP of 4.02, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methoxyanilino)-4-methyl-2-(2-methylpropyl)pentanoic acid is sourced from PubChem (CID 114868127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).