5-amino-5-(2-ethoxy-5-methylphenyl)-3-methylpentanoic acid

C15H23NO3 — CID 62941477

IUPAC5-amino-5-(2-ethoxy-5-methylphenyl)-3-methylpentanoic acid
SMILESCCOc1ccc(C)cc1C(N)CC(C)CC(=O)O
InChIInChI=1S/C15H23NO3/c1-4-19-14-6-5-10(2)7-12(14)13(16)8-11(3)9-15(17)18/h5-7,11,13H,4,8-9,16H2,1-3H3,(H,17,18)
InChIKeySKTMCXLWGRSRDG-UHFFFAOYSA-N
MW265.35 g/mol
LogP2.89
Rot. Bonds7

About 5-amino-5-(2-ethoxy-5-methylphenyl)-3-methylpentanoic acid

5-amino-5-(2-ethoxy-5-methylphenyl)-3-methylpentanoic acid (PubChem CID 62941477) has the molecular formula C15H23NO3 and a molecular weight of 265.35 g/mol. Its IUPAC name is 5-amino-5-(2-ethoxy-5-methylphenyl)-3-methylpentanoic acid.

Molecular Properties

Compound Name5-amino-5-(2-ethoxy-5-methylphenyl)-3-methylpentanoic acid
PubChem CID62941477
Molecular FormulaC15H23NO3
Molecular Weight265.35 g/mol
Exact Mass265.17
IUPAC Name5-amino-5-(2-ethoxy-5-methylphenyl)-3-methylpentanoic acid
SMILESCCOc1ccc(C)cc1C(N)CC(C)CC(=O)O
InChIInChI=1S/C15H23NO3/c1-4-19-14-6-5-10(2)7-12(14)13(16)8-11(3)9-15(17)18/h5-7,11,13H,4,8-9,16H2,1-3H3,(H,17,18)
InChIKeySKTMCXLWGRSRDG-UHFFFAOYSA-N
XLogP2.89
TPSA72.55 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 ≤ 52.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 5-amino-5-(2-ethoxy-5-methylphenyl)-3-methylpentanoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

ethyl 5-amino-5-(5-bromo-2-ethoxyphenyl)-3-methylpentanoate
CID 62942372
3-(2-ethoxy-5-methylphenyl)pentanoic acid
CID 83958110
(2S)-2-amino-2-(2-ethoxy-5-methylphenyl)acetic acid
CID 7016959
5-(2-ethoxy-5-methylphenyl)-5,5-difluoro-3-methylpentanoic acid
CID 62942204
4-amino-4-(2-ethoxy-5-methylphenyl)butanamide
CID 62301820
3-amino-3-(5-bromo-2-ethoxyphenyl)propanoic acid
CID 53417383
5-amino-3-methyl-5-(2,3,4-trimethoxyphenyl)pentanoic acid
CID 62942194
2-[2-amino-2-(2-ethoxy-5-methylphenyl)ethoxy]acetamide
CID 62302330
4-(2-ethoxy-5-methylphenyl)-4-hydroxy-3-(propan-2-ylamino)butanoic acid
CID 82349047
methyl 2-[2-amino-2-(2-ethoxy-5-methylphenyl)ethoxy]acetate
CID 55057129
4-[[(1R)-1-(2-ethoxy-5-methylphenyl)ethyl]amino]-4-oxobutanoic acid
CID 42219989
(1R)-1-(2-ethoxy-5-methylphenyl)ethanol
CID 63364902

Frequently Asked Questions

What is the IUPAC name of 5-amino-5-(2-ethoxy-5-methylphenyl)-3-methylpentanoic acid?
The IUPAC name of 5-amino-5-(2-ethoxy-5-methylphenyl)-3-methylpentanoic acid (CID 62941477) is 5-amino-5-(2-ethoxy-5-methylphenyl)-3-methylpentanoic acid.
What is the SMILES notation for 5-amino-5-(2-ethoxy-5-methylphenyl)-3-methylpentanoic acid?
The canonical SMILES for 5-amino-5-(2-ethoxy-5-methylphenyl)-3-methylpentanoic acid is CCOc1ccc(C)cc1C(N)CC(C)CC(=O)O.
What is the InChIKey of 5-amino-5-(2-ethoxy-5-methylphenyl)-3-methylpentanoic acid?
The InChIKey is SKTMCXLWGRSRDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO3/c1-4-19-14-6-5-10(2)7-12(14)13(16)8-11(3)9-15(17)18/h5-7,11,13H,4,8-9,16H2,1-3H3,(H,17,18).
What are the key properties of 5-amino-5-(2-ethoxy-5-methylphenyl)-3-methylpentanoic acid?
5-amino-5-(2-ethoxy-5-methylphenyl)-3-methylpentanoic acid has a molecular weight of 265.35 g/mol, XLogP of 2.89, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-5-(2-ethoxy-5-methylphenyl)-3-methylpentanoic acid is sourced from PubChem (CID 62941477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).