methyl 4-amino-3-methyl-3-(2-methylphenyl)pentanoate

C14H21NO2 — CID 66096855

IUPACmethyl 4-amino-3-methyl-3-(2-methylphenyl)pentanoate
SMILESCOC(=O)CC(C)(c1ccccc1C)C(C)N
InChIInChI=1S/C14H21NO2/c1-10-7-5-6-8-12(10)14(3,11(2)15)9-13(16)17-4/h5-8,11H,9,15H2,1-4H3
InChIKeyMWCSIUXNMLDHKF-UHFFFAOYSA-N
MW235.33 g/mol
LogP2.16
Rot. Bonds4

About methyl 4-amino-3-methyl-3-(2-methylphenyl)pentanoate

methyl 4-amino-3-methyl-3-(2-methylphenyl)pentanoate (PubChem CID 66096855) has the molecular formula C14H21NO2 and a molecular weight of 235.33 g/mol. Its IUPAC name is methyl 4-amino-3-methyl-3-(2-methylphenyl)pentanoate.

Molecular Properties

Compound Namemethyl 4-amino-3-methyl-3-(2-methylphenyl)pentanoate
PubChem CID66096855
Molecular FormulaC14H21NO2
Molecular Weight235.33 g/mol
Exact Mass235.16
IUPAC Namemethyl 4-amino-3-methyl-3-(2-methylphenyl)pentanoate
SMILESCOC(=O)CC(C)(c1ccccc1C)C(C)N
InChIInChI=1S/C14H21NO2/c1-10-7-5-6-8-12(10)14(3,11(2)15)9-13(16)17-4/h5-8,11H,9,15H2,1-4H3
InChIKeyMWCSIUXNMLDHKF-UHFFFAOYSA-N
XLogP2.16
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
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 4-amino-3-methyl-3-(3-methylthiophen-2-yl)pentanoate
CID 66096225
methyl 4-amino-3-(2-bromophenyl)-3-methylhexanoate
CID 66098993
methyl 4-amino-3-methyl-3-[4-(2-methylpropyl)phenyl]pentanoate
CID 66098334
methyl 3,4,4,4-tetrafluoro-3-(2-methylphenyl)butanoate
CID 146013735
methyl 4-amino-3-(5-ethylthiophen-2-yl)-3-methylpentanoate
CID 66098746
methyl 4-amino-3-methyl-3-(4-methylphenyl)hexanoate
CID 66098766
ethyl 3-amino-3-(2-methylphenyl)butanoate
CID 79849157
methyl 3-amino-3-naphthalen-1-ylbutanoate
CID 79849227
methyl 4-amino-3-(2-chlorophenyl)-3,4-dimethylpentanoate
CID 66096712
methyl 4-amino-3-methyl-3-(4-propan-2-ylphenyl)hexanoate
CID 66098770
(2-methylphenyl) 3,3-dimethylbutanoate
CID 78776850
[2-methyl-2-(2-methylphenyl)propyl] acetate
CID 166865476

Frequently Asked Questions

What is the IUPAC name of methyl 4-amino-3-methyl-3-(2-methylphenyl)pentanoate?
The IUPAC name of methyl 4-amino-3-methyl-3-(2-methylphenyl)pentanoate (CID 66096855) is methyl 4-amino-3-methyl-3-(2-methylphenyl)pentanoate.
What is the SMILES notation for methyl 4-amino-3-methyl-3-(2-methylphenyl)pentanoate?
The canonical SMILES for methyl 4-amino-3-methyl-3-(2-methylphenyl)pentanoate is COC(=O)CC(C)(c1ccccc1C)C(C)N.
What is the InChIKey of methyl 4-amino-3-methyl-3-(2-methylphenyl)pentanoate?
The InChIKey is MWCSIUXNMLDHKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO2/c1-10-7-5-6-8-12(10)14(3,11(2)15)9-13(16)17-4/h5-8,11H,9,15H2,1-4H3.
What are the key properties of methyl 4-amino-3-methyl-3-(2-methylphenyl)pentanoate?
methyl 4-amino-3-methyl-3-(2-methylphenyl)pentanoate has a molecular weight of 235.33 g/mol, XLogP of 2.16, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-amino-3-methyl-3-(2-methylphenyl)pentanoate is sourced from PubChem (CID 66096855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).