2-ethyl-2-(2-methoxyanilino)pentanoic acid

C14H21NO3 — CID 114079646

IUPAC2-ethyl-2-(2-methoxyanilino)pentanoic acid
SMILESCCCC(CC)(Nc1ccccc1OC)C(=O)O
InChIInChI=1S/C14H21NO3/c1-4-10-14(5-2,13(16)17)15-11-8-6-7-9-12(11)18-3/h6-9,15H,4-5,10H2,1-3H3,(H,16,17)
InChIKeyOVNIWVSBEGKSRH-UHFFFAOYSA-N
MW251.33 g/mol
LogP3.14
Rot. Bonds7

About 2-ethyl-2-(2-methoxyanilino)pentanoic acid

2-ethyl-2-(2-methoxyanilino)pentanoic acid (PubChem CID 114079646) has the molecular formula C14H21NO3 and a molecular weight of 251.33 g/mol. Its IUPAC name is 2-ethyl-2-(2-methoxyanilino)pentanoic acid.

Molecular Properties

Compound Name2-ethyl-2-(2-methoxyanilino)pentanoic acid
PubChem CID114079646
Molecular FormulaC14H21NO3
Molecular Weight251.33 g/mol
Exact Mass251.15
IUPAC Name2-ethyl-2-(2-methoxyanilino)pentanoic acid
SMILESCCCC(CC)(Nc1ccccc1OC)C(=O)O
InChIInChI=1S/C14H21NO3/c1-4-10-14(5-2,13(16)17)15-11-8-6-7-9-12(11)18-3/h6-9,15H,4-5,10H2,1-3H3,(H,16,17)
InChIKeyOVNIWVSBEGKSRH-UHFFFAOYSA-N
XLogP3.14
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 53.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2-methoxyanilino)-2-propylpentanoic acid
CID 60993872
methyl 2-ethyl-2-(2-methoxyanilino)butanoate
CID 54890267
ethyl 2-ethyl-2-(2-methoxyanilino)butanoate
CID 54890504
2-(2-methoxyanilino)-4-methyl-2-(2-methylpropyl)pentanoic acid
CID 114868127
methyl 2-ethyl-2-(2-methoxyanilino)-4-methylhexanoate
CID 60993162
2-ethyl-2-(2-methoxyanilino)butan-1-ol
CID 61049290
methyl 2-(2-fluoroanilino)-2-propylpentanoate
CID 54890183
2-ethyl-2-[[(2-methoxyphenyl)-methylcarbamoyl]amino]butanoic acid
CID 79815181
ethyl 3-methoxy-2-(2-methoxyanilino)-2-methylpropanoate
CID 62536843
2-ethyl-2-(2-ethylsulfonylanilino)butanoic acid
CID 79806562
ethyl 2-(2-methoxyanilino)-2-phenylacetate
CID 13004503
N-(2-methoxyphenyl)-2,2,2-triphenylacetamide
CID 11188554

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-2-(2-methoxyanilino)pentanoic acid?
The IUPAC name of 2-ethyl-2-(2-methoxyanilino)pentanoic acid (CID 114079646) is 2-ethyl-2-(2-methoxyanilino)pentanoic acid.
What is the SMILES notation for 2-ethyl-2-(2-methoxyanilino)pentanoic acid?
The canonical SMILES for 2-ethyl-2-(2-methoxyanilino)pentanoic acid is CCCC(CC)(Nc1ccccc1OC)C(=O)O.
What is the InChIKey of 2-ethyl-2-(2-methoxyanilino)pentanoic acid?
The InChIKey is OVNIWVSBEGKSRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO3/c1-4-10-14(5-2,13(16)17)15-11-8-6-7-9-12(11)18-3/h6-9,15H,4-5,10H2,1-3H3,(H,16,17).
What are the key properties of 2-ethyl-2-(2-methoxyanilino)pentanoic acid?
2-ethyl-2-(2-methoxyanilino)pentanoic acid has a molecular weight of 251.33 g/mol, XLogP of 3.14, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-2-(2-methoxyanilino)pentanoic acid is sourced from PubChem (CID 114079646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).