2-amino-4-(2,3,5-trimethylphenyl)hexanoic acid

C15H23NO2 — CID 174512676

IUPAC2-amino-4-(2,3,5-trimethylphenyl)hexanoic acid
SMILESCCC(CC(N)C(=O)O)c1cc(C)cc(C)c1C
InChIInChI=1S/C15H23NO2/c1-5-12(8-14(16)15(17)18)13-7-9(2)6-10(3)11(13)4/h6-7,12,14H,5,8,16H2,1-4H3,(H,17,18)
InChIKeyRMHJOXJFCJYHTK-UHFFFAOYSA-N
MW249.35 g/mol
LogP2.91
Rot. Bonds5

About 2-amino-4-(2,3,5-trimethylphenyl)hexanoic acid

2-amino-4-(2,3,5-trimethylphenyl)hexanoic acid (PubChem CID 174512676) has the molecular formula C15H23NO2 and a molecular weight of 249.35 g/mol. Its IUPAC name is 2-amino-4-(2,3,5-trimethylphenyl)hexanoic acid.

Molecular Properties

Compound Name2-amino-4-(2,3,5-trimethylphenyl)hexanoic acid
PubChem CID174512676
Molecular FormulaC15H23NO2
Molecular Weight249.35 g/mol
Exact Mass249.17
IUPAC Name2-amino-4-(2,3,5-trimethylphenyl)hexanoic acid
SMILESCCC(CC(N)C(=O)O)c1cc(C)cc(C)c1C
InChIInChI=1S/C15H23NO2/c1-5-12(8-14(16)15(17)18)13-7-9(2)6-10(3)11(13)4/h6-7,12,14H,5,8,16H2,1-4H3,(H,17,18)
InChIKeyRMHJOXJFCJYHTK-UHFFFAOYSA-N
XLogP2.91
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.35
LogP ≤ 52.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-amino-4-(2,5-dihydroxyphenyl)hexanoic acid
CID 174512800
3-amino-2-(2,3,5-trimethylphenyl)propanoic acid
CID 117296257
2-(aminomethyl)-4-(2,3,5-trimethylphenyl)pentanoic acid
CID 69268125
2-amino-4-(3,5-dimethoxyphenyl)hexanoic acid
CID 175245941
2-amino-2-(2,3,5-trimethylphenyl)ethanol
CID 117278132
2-(aminomethyl)-4-(2,3,4-trimethylphenyl)hexanoic acid
CID 69268153
2-amino-2-(2-amino-3,5-dimethylphenyl)acetic acid
CID 55297245
3-amino-3-(2-ethoxy-3,5-dimethylphenyl)propanoic acid
CID 4023553
2-(2-amino-3,5-dimethylphenyl)-4,4-dimethylpentanoic acid
CID 106987402
2,4-diamino-4-(4-ethoxy-3-methylphenyl)butanoic acid
CID 116942673
2,6-diamino-4-ethyl-6-oxohexanoic acid
CID 87815600
(2S)-2-amino-3-(2,4-dimethyl-6-tetradecan-2-ylphenyl)propanoic acid
CID 68811760

Frequently Asked Questions

What is the IUPAC name of 2-amino-4-(2,3,5-trimethylphenyl)hexanoic acid?
The IUPAC name of 2-amino-4-(2,3,5-trimethylphenyl)hexanoic acid (CID 174512676) is 2-amino-4-(2,3,5-trimethylphenyl)hexanoic acid.
What is the SMILES notation for 2-amino-4-(2,3,5-trimethylphenyl)hexanoic acid?
The canonical SMILES for 2-amino-4-(2,3,5-trimethylphenyl)hexanoic acid is CCC(CC(N)C(=O)O)c1cc(C)cc(C)c1C.
What is the InChIKey of 2-amino-4-(2,3,5-trimethylphenyl)hexanoic acid?
The InChIKey is RMHJOXJFCJYHTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO2/c1-5-12(8-14(16)15(17)18)13-7-9(2)6-10(3)11(13)4/h6-7,12,14H,5,8,16H2,1-4H3,(H,17,18).
What are the key properties of 2-amino-4-(2,3,5-trimethylphenyl)hexanoic acid?
2-amino-4-(2,3,5-trimethylphenyl)hexanoic acid has a molecular weight of 249.35 g/mol, XLogP of 2.91, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-(2,3,5-trimethylphenyl)hexanoic acid is sourced from PubChem (CID 174512676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).