3-amino-5-methyl-8-(2-methylphenyl)octanoic acid

C16H25NO2 — CID 11471040

IUPAC3-amino-5-methyl-8-(2-methylphenyl)octanoic acid
SMILESCc1ccccc1CCCC(C)CC(N)CC(=O)O
InChIInChI=1S/C16H25NO2/c1-12(10-15(17)11-16(18)19)6-5-9-14-8-4-3-7-13(14)2/h3-4,7-8,12,15H,5-6,9-11,17H2,1-2H3,(H,18,19)
InChIKeyZWYUMQOOBJZKIM-UHFFFAOYSA-N
MW263.38 g/mol
LogP3.15
Rot. Bonds8

About 3-amino-5-methyl-8-(2-methylphenyl)octanoic acid

3-amino-5-methyl-8-(2-methylphenyl)octanoic acid (PubChem CID 11471040) has the molecular formula C16H25NO2 and a molecular weight of 263.38 g/mol. Its IUPAC name is 3-amino-5-methyl-8-(2-methylphenyl)octanoic acid.

Molecular Properties

Compound Name3-amino-5-methyl-8-(2-methylphenyl)octanoic acid
PubChem CID11471040
Molecular FormulaC16H25NO2
Molecular Weight263.38 g/mol
Exact Mass263.19
IUPAC Name3-amino-5-methyl-8-(2-methylphenyl)octanoic acid
SMILESCc1ccccc1CCCC(C)CC(N)CC(=O)O
InChIInChI=1S/C16H25NO2/c1-12(10-15(17)11-16(18)19)6-5-9-14-8-4-3-7-13(14)2/h3-4,7-8,12,15H,5-6,9-11,17H2,1-2H3,(H,18,19)
InChIKeyZWYUMQOOBJZKIM-UHFFFAOYSA-N
XLogP3.15
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.38
LogP ≤ 53.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(3R)-3-amino-4-(2-methylphenyl)butanoic acid;hydrochloride
CID 24820268
1-methyl-2-(4-methylhexyl)benzene
CID 123235312
(3S,5R)-3-amino-7-anilino-5-methylheptanoic acid
CID 68857725
2-methyl-6-(2-methylphenyl)hexan-3-amine
CID 64505350
3-amino-4-[methyl-[2-(2-methylphenyl)ethyl]amino]-4-oxobutanoic acid
CID 115181352
4-(2-methylphenyl)butanamide
CID 22103596
(3S,5R)-3-amino-5-methyloctanoic acid;hydrochloride
CID 11701275
1-(4-chloropentyl)-2-methylbenzene
CID 64515868
3-(2-methylphenyl)propyl hydrogen carbonate
CID 150352132
(3S,5R)-3-amino-8,8,9,9,9-pentadeuterio-5-methylnonanoic acid;hydrochloride
CID 57408903
2-(2-methylphenyl)acetic acid
CID 67440217
6-(2-methylphenyl)hexan-3-ol
CID 64514172

Frequently Asked Questions

What is the IUPAC name of 3-amino-5-methyl-8-(2-methylphenyl)octanoic acid?
The IUPAC name of 3-amino-5-methyl-8-(2-methylphenyl)octanoic acid (CID 11471040) is 3-amino-5-methyl-8-(2-methylphenyl)octanoic acid.
What is the SMILES notation for 3-amino-5-methyl-8-(2-methylphenyl)octanoic acid?
The canonical SMILES for 3-amino-5-methyl-8-(2-methylphenyl)octanoic acid is Cc1ccccc1CCCC(C)CC(N)CC(=O)O.
What is the InChIKey of 3-amino-5-methyl-8-(2-methylphenyl)octanoic acid?
The InChIKey is ZWYUMQOOBJZKIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO2/c1-12(10-15(17)11-16(18)19)6-5-9-14-8-4-3-7-13(14)2/h3-4,7-8,12,15H,5-6,9-11,17H2,1-2H3,(H,18,19).
What are the key properties of 3-amino-5-methyl-8-(2-methylphenyl)octanoic acid?
3-amino-5-methyl-8-(2-methylphenyl)octanoic acid has a molecular weight of 263.38 g/mol, XLogP of 3.15, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-5-methyl-8-(2-methylphenyl)octanoic acid is sourced from PubChem (CID 11471040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).