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

C15H23NO3 — CID 64706563

IUPAC4-(3-ethylphenoxy)-2-methyl-2-(methylamino)pentanoic acid
SMILESCCc1cccc(OC(C)CC(C)(NC)C(=O)O)c1
InChIInChI=1S/C15H23NO3/c1-5-12-7-6-8-13(9-12)19-11(2)10-15(3,16-4)14(17)18/h6-9,11,16H,5,10H2,1-4H3,(H,17,18)
InChIKeyZNXOQHSDJBMNKF-UHFFFAOYSA-N
MW265.35 g/mol
LogP2.47
Rot. Bonds7

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

4-(3-ethylphenoxy)-2-methyl-2-(methylamino)pentanoic acid (PubChem CID 64706563) has the molecular formula C15H23NO3 and a molecular weight of 265.35 g/mol. Its IUPAC name is 4-(3-ethylphenoxy)-2-methyl-2-(methylamino)pentanoic acid.

Molecular Properties

Compound Name4-(3-ethylphenoxy)-2-methyl-2-(methylamino)pentanoic acid
PubChem CID64706563
Molecular FormulaC15H23NO3
Molecular Weight265.35 g/mol
Exact Mass265.17
IUPAC Name4-(3-ethylphenoxy)-2-methyl-2-(methylamino)pentanoic acid
SMILESCCc1cccc(OC(C)CC(C)(NC)C(=O)O)c1
InChIInChI=1S/C15H23NO3/c1-5-12-7-6-8-13(9-12)19-11(2)10-15(3,16-4)14(17)18/h6-9,11,16H,5,10H2,1-4H3,(H,17,18)
InChIKeyZNXOQHSDJBMNKF-UHFFFAOYSA-N
XLogP2.47
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.35
LogP ≤ 52.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(ethylamino)-4-(3-ethylphenoxy)-2-methylpentanoic acid
CID 64707386
4-(3-ethylphenoxy)-2-methyl-2-(propan-2-ylamino)pentanoic acid
CID 64707593
4-(3-ethylphenoxy)-2-methyl-2-(propylamino)pentanoic acid
CID 64706561
4-(3-ethoxyphenoxy)-2-methyl-2-(methylamino)pentanoic acid
CID 64718695
4-[3-(dimethylamino)phenoxy]-2-methyl-2-(methylamino)pentanoic acid
CID 64708993
2-methyl-2-(methylamino)-4-(3-methylsulfonylphenoxy)pentanoic acid
CID 64721796
4-(3-ethoxyphenoxy)-2-methyl-2-(methylamino)pentanamide
CID 64719136
2-methyl-2-(methylamino)-4-(4-methylsulfonylphenoxy)pentanoic acid
CID 64719577
2-methyl-2-(methylamino)-4-(2-methylphenoxy)pentanoic acid
CID 64706223
ethyl 4-(3-fluorophenoxy)-2-methyl-2-(methylamino)pentanoate
CID 64706858
(2S)-2-(3-ethylphenoxy)propanoic acid
CID 10845483
4-[3-(hydroxymethyl)phenoxy]-2-methyl-2-(propylamino)pentanamide
CID 64707747

Frequently Asked Questions

What is the IUPAC name of 4-(3-ethylphenoxy)-2-methyl-2-(methylamino)pentanoic acid?
The IUPAC name of 4-(3-ethylphenoxy)-2-methyl-2-(methylamino)pentanoic acid (CID 64706563) is 4-(3-ethylphenoxy)-2-methyl-2-(methylamino)pentanoic acid.
What is the SMILES notation for 4-(3-ethylphenoxy)-2-methyl-2-(methylamino)pentanoic acid?
The canonical SMILES for 4-(3-ethylphenoxy)-2-methyl-2-(methylamino)pentanoic acid is CCc1cccc(OC(C)CC(C)(NC)C(=O)O)c1.
What is the InChIKey of 4-(3-ethylphenoxy)-2-methyl-2-(methylamino)pentanoic acid?
The InChIKey is ZNXOQHSDJBMNKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO3/c1-5-12-7-6-8-13(9-12)19-11(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-ethylphenoxy)-2-methyl-2-(methylamino)pentanoic acid?
4-(3-ethylphenoxy)-2-methyl-2-(methylamino)pentanoic acid has a molecular weight of 265.35 g/mol, XLogP of 2.47, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-ethylphenoxy)-2-methyl-2-(methylamino)pentanoic acid is sourced from PubChem (CID 64706563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).