methyl 2-amino-5-(2,6-dimethylphenyl)-4-methylhexanoate

C16H25NO2 — CID 174498182

IUPACmethyl 2-amino-5-(2,6-dimethylphenyl)-4-methylhexanoate
SMILESCOC(=O)C(N)CC(C)C(C)c1c(C)cccc1C
InChIInChI=1S/C16H25NO2/c1-10-7-6-8-11(2)15(10)13(4)12(3)9-14(17)16(18)19-5/h6-8,12-14H,9,17H2,1-5H3
InChIKeyVNGIDXBVXFTRCW-UHFFFAOYSA-N
MW263.38 g/mol
LogP2.93
Rot. Bonds5

About methyl 2-amino-5-(2,6-dimethylphenyl)-4-methylhexanoate

methyl 2-amino-5-(2,6-dimethylphenyl)-4-methylhexanoate (PubChem CID 174498182) has the molecular formula C16H25NO2 and a molecular weight of 263.38 g/mol. Its IUPAC name is methyl 2-amino-5-(2,6-dimethylphenyl)-4-methylhexanoate.

Molecular Properties

Compound Namemethyl 2-amino-5-(2,6-dimethylphenyl)-4-methylhexanoate
PubChem CID174498182
Molecular FormulaC16H25NO2
Molecular Weight263.38 g/mol
Exact Mass263.19
IUPAC Namemethyl 2-amino-5-(2,6-dimethylphenyl)-4-methylhexanoate
SMILESCOC(=O)C(N)CC(C)C(C)c1c(C)cccc1C
InChIInChI=1S/C16H25NO2/c1-10-7-6-8-11(2)15(10)13(4)12(3)9-14(17)16(18)19-5/h6-8,12-14H,9,17H2,1-5H3
InChIKeyVNGIDXBVXFTRCW-UHFFFAOYSA-N
XLogP2.93
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.38
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of methyl 2-amino-5-(2,6-dimethylphenyl)-4-methylhexanoate?
The IUPAC name of methyl 2-amino-5-(2,6-dimethylphenyl)-4-methylhexanoate (CID 174498182) is methyl 2-amino-5-(2,6-dimethylphenyl)-4-methylhexanoate.
What is the SMILES notation for methyl 2-amino-5-(2,6-dimethylphenyl)-4-methylhexanoate?
The canonical SMILES for methyl 2-amino-5-(2,6-dimethylphenyl)-4-methylhexanoate is COC(=O)C(N)CC(C)C(C)c1c(C)cccc1C.
What is the InChIKey of methyl 2-amino-5-(2,6-dimethylphenyl)-4-methylhexanoate?
The InChIKey is VNGIDXBVXFTRCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO2/c1-10-7-6-8-11(2)15(10)13(4)12(3)9-14(17)16(18)19-5/h6-8,12-14H,9,17H2,1-5H3.
What are the key properties of methyl 2-amino-5-(2,6-dimethylphenyl)-4-methylhexanoate?
methyl 2-amino-5-(2,6-dimethylphenyl)-4-methylhexanoate has a molecular weight of 263.38 g/mol, XLogP of 2.93, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-amino-5-(2,6-dimethylphenyl)-4-methylhexanoate is sourced from PubChem (CID 174498182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).