4-(3-ethoxyphenoxy)-2-methyl-2-(methylamino)pentanoic acid

C15H23NO4 — CID 64718695

IUPAC4-(3-ethoxyphenoxy)-2-methyl-2-(methylamino)pentanoic acid
SMILESCCOc1cccc(OC(C)CC(C)(NC)C(=O)O)c1
InChIInChI=1S/C15H23NO4/c1-5-19-12-7-6-8-13(9-12)20-11(2)10-15(3,16-4)14(17)18/h6-9,11,16H,5,10H2,1-4H3,(H,17,18)
InChIKeyYJHVIYNZPXFXBV-UHFFFAOYSA-N
MW281.35 g/mol
LogP2.31
Rot. Bonds8

About 4-(3-ethoxyphenoxy)-2-methyl-2-(methylamino)pentanoic acid

4-(3-ethoxyphenoxy)-2-methyl-2-(methylamino)pentanoic acid (PubChem CID 64718695) has the molecular formula C15H23NO4 and a molecular weight of 281.35 g/mol. Its IUPAC name is 4-(3-ethoxyphenoxy)-2-methyl-2-(methylamino)pentanoic acid.

Molecular Properties

Compound Name4-(3-ethoxyphenoxy)-2-methyl-2-(methylamino)pentanoic acid
PubChem CID64718695
Molecular FormulaC15H23NO4
Molecular Weight281.35 g/mol
Exact Mass281.16
IUPAC Name4-(3-ethoxyphenoxy)-2-methyl-2-(methylamino)pentanoic acid
SMILESCCOc1cccc(OC(C)CC(C)(NC)C(=O)O)c1
InChIInChI=1S/C15H23NO4/c1-5-19-12-7-6-8-13(9-12)20-11(2)10-15(3,16-4)14(17)18/h6-9,11,16H,5,10H2,1-4H3,(H,17,18)
InChIKeyYJHVIYNZPXFXBV-UHFFFAOYSA-N
XLogP2.31
TPSA67.79 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.35
LogP ≤ 52.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-(3-ethoxyphenoxy)-2-methyl-2-(methylamino)pentanamide
CID 64719136
4-(3-ethylphenoxy)-2-methyl-2-(methylamino)pentanoic acid
CID 64706563
4-[3-(dimethylamino)phenoxy]-2-methyl-2-(methylamino)pentanoic acid
CID 64708993
2-methyl-2-(methylamino)-4-(3-methylsulfonylphenoxy)pentanoic acid
CID 64721796
2-(ethylamino)-4-(3-ethylphenoxy)-2-methylpentanoic acid
CID 64707386
ethyl 4-(3-fluorophenoxy)-2-methyl-2-(methylamino)pentanoate
CID 64706858
4-(3-ethylphenoxy)-2-methyl-2-(propan-2-ylamino)pentanoic acid
CID 64707593
2-methyl-2-(methylamino)-4-(4-methylsulfonylphenoxy)pentanoic acid
CID 64719577
2-methyl-2-(methylamino)-4-(2-methylphenoxy)pentanoic acid
CID 64706223
4-(3-ethylphenoxy)-2-methyl-2-(propylamino)pentanoic acid
CID 64706561
2-[(3-ethoxybenzoyl)amino]-2-methylpentanoic acid
CID 119192325
methyl 2-(3-ethoxyphenoxy)propanoate
CID 62338439

Frequently Asked Questions

What is the IUPAC name of 4-(3-ethoxyphenoxy)-2-methyl-2-(methylamino)pentanoic acid?
The IUPAC name of 4-(3-ethoxyphenoxy)-2-methyl-2-(methylamino)pentanoic acid (CID 64718695) is 4-(3-ethoxyphenoxy)-2-methyl-2-(methylamino)pentanoic acid.
What is the SMILES notation for 4-(3-ethoxyphenoxy)-2-methyl-2-(methylamino)pentanoic acid?
The canonical SMILES for 4-(3-ethoxyphenoxy)-2-methyl-2-(methylamino)pentanoic acid is CCOc1cccc(OC(C)CC(C)(NC)C(=O)O)c1.
What is the InChIKey of 4-(3-ethoxyphenoxy)-2-methyl-2-(methylamino)pentanoic acid?
The InChIKey is YJHVIYNZPXFXBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO4/c1-5-19-12-7-6-8-13(9-12)20-11(2)10-15(3,16-4)14(17)18/h6-9,11,16H,5,10H2,1-4H3,(H,17,18).
What are the key properties of 4-(3-ethoxyphenoxy)-2-methyl-2-(methylamino)pentanoic acid?
4-(3-ethoxyphenoxy)-2-methyl-2-(methylamino)pentanoic acid has a molecular weight of 281.35 g/mol, XLogP of 2.31, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-ethoxyphenoxy)-2-methyl-2-(methylamino)pentanoic acid is sourced from PubChem (CID 64718695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).