4-methoxy-2,4-dimethyl-2-(2-methylanilino)pentanoic acid

C15H23NO3 — CID 60992455

IUPAC4-methoxy-2,4-dimethyl-2-(2-methylanilino)pentanoic acid
SMILESCOC(C)(C)CC(C)(Nc1ccccc1C)C(=O)O
InChIInChI=1S/C15H23NO3/c1-11-8-6-7-9-12(11)16-15(4,13(17)18)10-14(2,3)19-5/h6-9,16H,10H2,1-5H3,(H,17,18)
InChIKeyQLMNPMMRETVSEE-UHFFFAOYSA-N
MW265.35 g/mol
LogP3.07
Rot. Bonds6

About 4-methoxy-2,4-dimethyl-2-(2-methylanilino)pentanoic acid

4-methoxy-2,4-dimethyl-2-(2-methylanilino)pentanoic acid (PubChem CID 60992455) has the molecular formula C15H23NO3 and a molecular weight of 265.35 g/mol. Its IUPAC name is 4-methoxy-2,4-dimethyl-2-(2-methylanilino)pentanoic acid.

Molecular Properties

Compound Name4-methoxy-2,4-dimethyl-2-(2-methylanilino)pentanoic acid
PubChem CID60992455
Molecular FormulaC15H23NO3
Molecular Weight265.35 g/mol
Exact Mass265.17
IUPAC Name4-methoxy-2,4-dimethyl-2-(2-methylanilino)pentanoic acid
SMILESCOC(C)(C)CC(C)(Nc1ccccc1C)C(=O)O
InChIInChI=1S/C15H23NO3/c1-11-8-6-7-9-12(11)16-15(4,13(17)18)10-14(2,3)19-5/h6-9,16H,10H2,1-5H3,(H,17,18)
InChIKeyQLMNPMMRETVSEE-UHFFFAOYSA-N
XLogP3.07
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.35
LogP ≤ 53.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2,5-dimethyl-2-(2-methylanilino)hexanoic acid
CID 60991232
2-(4-methoxyphenyl)-2-(2-methylanilino)propanoic acid
CID 60990825
methyl 2-methyl-2-(2-methylanilino)heptanoate
CID 80558078
3-methoxy-2-(2-methylanilino)-2-phenylpropanoic acid
CID 103464846
ethyl 4-methoxy-4-methyl-2-(2-methylanilino)pentanoate
CID 106675948
2-hydroxy-2-methyl-3-(2-methylanilino)propanoic acid
CID 104643822
2-(2-methylanilino)-2-pyridin-4-ylpropanoic acid
CID 60991517
2-methyl-2-(2-methylanilino)propan-1-ol
CID 61045872
2-methyl-2-(2-methylanilino)propane-1,3-diol
CID 130509283
2-(5-fluoro-2-methylanilino)-3-methoxy-2-methylpropanoic acid
CID 115000557
2-(2-bromoanilino)-2-methylbutanoic acid
CID 60994535
2-(2-ethylanilino)-2-methylpentanoic acid
CID 114992150

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-2,4-dimethyl-2-(2-methylanilino)pentanoic acid?
The IUPAC name of 4-methoxy-2,4-dimethyl-2-(2-methylanilino)pentanoic acid (CID 60992455) is 4-methoxy-2,4-dimethyl-2-(2-methylanilino)pentanoic acid.
What is the SMILES notation for 4-methoxy-2,4-dimethyl-2-(2-methylanilino)pentanoic acid?
The canonical SMILES for 4-methoxy-2,4-dimethyl-2-(2-methylanilino)pentanoic acid is COC(C)(C)CC(C)(Nc1ccccc1C)C(=O)O.
What is the InChIKey of 4-methoxy-2,4-dimethyl-2-(2-methylanilino)pentanoic acid?
The InChIKey is QLMNPMMRETVSEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO3/c1-11-8-6-7-9-12(11)16-15(4,13(17)18)10-14(2,3)19-5/h6-9,16H,10H2,1-5H3,(H,17,18).
What are the key properties of 4-methoxy-2,4-dimethyl-2-(2-methylanilino)pentanoic acid?
4-methoxy-2,4-dimethyl-2-(2-methylanilino)pentanoic acid has a molecular weight of 265.35 g/mol, XLogP of 3.07, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-2,4-dimethyl-2-(2-methylanilino)pentanoic acid is sourced from PubChem (CID 60992455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).