methyl 2-amino-2,3-dimethyl-3-(2-methylphenyl)butanoate

C14H21NO2 — CID 115040899

IUPACmethyl 2-amino-2,3-dimethyl-3-(2-methylphenyl)butanoate
SMILESCOC(=O)C(C)(N)C(C)(C)c1ccccc1C
InChIInChI=1S/C14H21NO2/c1-10-8-6-7-9-11(10)13(2,3)14(4,15)12(16)17-5/h6-9H,15H2,1-5H3
InChIKeyJRFODVVGKYUUBT-UHFFFAOYSA-N
MW235.33 g/mol
LogP2.16
Rot. Bonds3

About methyl 2-amino-2,3-dimethyl-3-(2-methylphenyl)butanoate

methyl 2-amino-2,3-dimethyl-3-(2-methylphenyl)butanoate (PubChem CID 115040899) has the molecular formula C14H21NO2 and a molecular weight of 235.33 g/mol. Its IUPAC name is methyl 2-amino-2,3-dimethyl-3-(2-methylphenyl)butanoate.

Molecular Properties

Compound Namemethyl 2-amino-2,3-dimethyl-3-(2-methylphenyl)butanoate
PubChem CID115040899
Molecular FormulaC14H21NO2
Molecular Weight235.33 g/mol
Exact Mass235.16
IUPAC Namemethyl 2-amino-2,3-dimethyl-3-(2-methylphenyl)butanoate
SMILESCOC(=O)C(C)(N)C(C)(C)c1ccccc1C
InChIInChI=1S/C14H21NO2/c1-10-8-6-7-9-11(10)13(2,3)14(4,15)12(16)17-5/h6-9H,15H2,1-5H3
InChIKeyJRFODVVGKYUUBT-UHFFFAOYSA-N
XLogP2.16
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.33
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 2-(2-methylphenyl)-2,2-diphenylacetate
CID 620898
[2-methyl-2-(2-methylphenyl)propyl] acetate
CID 166865476
methyl 2-amino-3-(3-fluorophenyl)-2,3-dimethylbutanoate
CID 115043081
methyl carbonate;2-(2-methylphenyl)propan-2-ylazanium
CID 21288590
methyl (2R)-2-amino-2-phenylpropanoate;hydrochloride
CID 141027321
methyl 2-(aminomethyl)-5-hydroxy-2-(2-methylphenyl)pentanoate
CID 106509046
methyl 2-(aminomethyl)-4,4-difluoro-2-(2-methylphenyl)butanoate
CID 106509032
methyl (2S)-2-amino-2-(2-nitrophenyl)propanoate
CID 175893615
methyl 2-[(2-amino-2,3-dimethyl-3-phenylbutanoyl)amino]-2-methylpropanoate
CID 162639845
ethyl 3-amino-3-(2-methylphenyl)butanoate
CID 79849157
methyl 2-amino-2,4-dimethyl-4-phenylpentanoate
CID 14899524
methyl 2,2-dimethyl-3-[(2-methylphenyl)methylsulfanyl]propanoate
CID 79630033

Frequently Asked Questions

What is the IUPAC name of methyl 2-amino-2,3-dimethyl-3-(2-methylphenyl)butanoate?
The IUPAC name of methyl 2-amino-2,3-dimethyl-3-(2-methylphenyl)butanoate (CID 115040899) is methyl 2-amino-2,3-dimethyl-3-(2-methylphenyl)butanoate.
What is the SMILES notation for methyl 2-amino-2,3-dimethyl-3-(2-methylphenyl)butanoate?
The canonical SMILES for methyl 2-amino-2,3-dimethyl-3-(2-methylphenyl)butanoate is COC(=O)C(C)(N)C(C)(C)c1ccccc1C.
What is the InChIKey of methyl 2-amino-2,3-dimethyl-3-(2-methylphenyl)butanoate?
The InChIKey is JRFODVVGKYUUBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO2/c1-10-8-6-7-9-11(10)13(2,3)14(4,15)12(16)17-5/h6-9H,15H2,1-5H3.
What are the key properties of methyl 2-amino-2,3-dimethyl-3-(2-methylphenyl)butanoate?
methyl 2-amino-2,3-dimethyl-3-(2-methylphenyl)butanoate has a molecular weight of 235.33 g/mol, XLogP of 2.16, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-amino-2,3-dimethyl-3-(2-methylphenyl)butanoate is sourced from PubChem (CID 115040899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).