3-amino-3-(4-ethoxy-3-methylphenyl)-4-methylpentanoic acid

C15H23NO3 — CID 112514958

IUPAC3-amino-3-(4-ethoxy-3-methylphenyl)-4-methylpentanoic acid
SMILESCCOc1ccc(C(N)(CC(=O)O)C(C)C)cc1C
InChIInChI=1S/C15H23NO3/c1-5-19-13-7-6-12(8-11(13)4)15(16,10(2)3)9-14(17)18/h6-8,10H,5,9,16H2,1-4H3,(H,17,18)
InChIKeyGZQLSNANILVSTB-UHFFFAOYSA-N
MW265.35 g/mol
LogP2.68
Rot. Bonds6

About 3-amino-3-(4-ethoxy-3-methylphenyl)-4-methylpentanoic acid

3-amino-3-(4-ethoxy-3-methylphenyl)-4-methylpentanoic acid (PubChem CID 112514958) has the molecular formula C15H23NO3 and a molecular weight of 265.35 g/mol. Its IUPAC name is 3-amino-3-(4-ethoxy-3-methylphenyl)-4-methylpentanoic acid.

Molecular Properties

Compound Name3-amino-3-(4-ethoxy-3-methylphenyl)-4-methylpentanoic acid
PubChem CID112514958
Molecular FormulaC15H23NO3
Molecular Weight265.35 g/mol
Exact Mass265.17
IUPAC Name3-amino-3-(4-ethoxy-3-methylphenyl)-4-methylpentanoic acid
SMILESCCOc1ccc(C(N)(CC(=O)O)C(C)C)cc1C
InChIInChI=1S/C15H23NO3/c1-5-19-13-7-6-12(8-11(13)4)15(16,10(2)3)9-14(17)18/h6-8,10H,5,9,16H2,1-4H3,(H,17,18)
InChIKeyGZQLSNANILVSTB-UHFFFAOYSA-N
XLogP2.68
TPSA72.55 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 ≤ 52.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-amino-4-(4-ethoxy-3-methylphenyl)-3,3-dimethylbutanoic acid
CID 116938298
4-(4-ethoxy-3-methylphenyl)-4,4-difluorobutanoic acid
CID 116838445
3-(4-ethoxy-3-methylphenyl)butanoic acid
CID 82286931
3-amino-3-(4-ethoxy-3-fluorophenyl)butanoic acid
CID 82292934
4-(4-ethoxy-3-methylanilino)-3,3-dimethylbutanoic acid
CID 115220199
2-chloro-2-(4-ethoxy-3-methylphenyl)acetic acid
CID 82288310
ethyl 2-(4-ethoxy-3-methylanilino)-2-oxoacetate
CID 115141822
[2-(4-ethoxy-3-methylphenyl)-2-methylpropyl]urea
CID 115168787
1-amino-1-(4-ethoxy-3-methylphenyl)propan-2-one
CID 116859676
ethyl 2-amino-2-(4-ethoxy-3-methylphenyl)acetate
CID 116947153
4-(4-ethoxy-3-methylphenyl)-2-methylbutanoic acid
CID 116926908
2-[amino-(4-ethoxy-3-methylphenyl)methyl]-3-methylbutanoic acid
CID 116945196

Frequently Asked Questions

What is the IUPAC name of 3-amino-3-(4-ethoxy-3-methylphenyl)-4-methylpentanoic acid?
The IUPAC name of 3-amino-3-(4-ethoxy-3-methylphenyl)-4-methylpentanoic acid (CID 112514958) is 3-amino-3-(4-ethoxy-3-methylphenyl)-4-methylpentanoic acid.
What is the SMILES notation for 3-amino-3-(4-ethoxy-3-methylphenyl)-4-methylpentanoic acid?
The canonical SMILES for 3-amino-3-(4-ethoxy-3-methylphenyl)-4-methylpentanoic acid is CCOc1ccc(C(N)(CC(=O)O)C(C)C)cc1C.
What is the InChIKey of 3-amino-3-(4-ethoxy-3-methylphenyl)-4-methylpentanoic acid?
The InChIKey is GZQLSNANILVSTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO3/c1-5-19-13-7-6-12(8-11(13)4)15(16,10(2)3)9-14(17)18/h6-8,10H,5,9,16H2,1-4H3,(H,17,18).
What are the key properties of 3-amino-3-(4-ethoxy-3-methylphenyl)-4-methylpentanoic acid?
3-amino-3-(4-ethoxy-3-methylphenyl)-4-methylpentanoic acid has a molecular weight of 265.35 g/mol, XLogP of 2.68, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-3-(4-ethoxy-3-methylphenyl)-4-methylpentanoic acid is sourced from PubChem (CID 112514958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).