methyl 3-amino-3-(3,4-dimethoxyphenyl)-2,2-dimethylpropanoate

C14H21NO4 — CID 116940265

IUPACmethyl 3-amino-3-(3,4-dimethoxyphenyl)-2,2-dimethylpropanoate
SMILESCOC(=O)C(C)(C)C(N)c1ccc(OC)c(OC)c1
InChIInChI=1S/C14H21NO4/c1-14(2,13(16)19-5)12(15)9-6-7-10(17-3)11(8-9)18-4/h6-8,12H,15H2,1-5H3
InChIKeyALYMVOQNWDKOJJ-UHFFFAOYSA-N
MW267.32 g/mol
LogP1.90
Rot. Bonds5

About methyl 3-amino-3-(3,4-dimethoxyphenyl)-2,2-dimethylpropanoate

methyl 3-amino-3-(3,4-dimethoxyphenyl)-2,2-dimethylpropanoate (PubChem CID 116940265) has the molecular formula C14H21NO4 and a molecular weight of 267.32 g/mol. Its IUPAC name is methyl 3-amino-3-(3,4-dimethoxyphenyl)-2,2-dimethylpropanoate.

Molecular Properties

Compound Namemethyl 3-amino-3-(3,4-dimethoxyphenyl)-2,2-dimethylpropanoate
PubChem CID116940265
Molecular FormulaC14H21NO4
Molecular Weight267.32 g/mol
Exact Mass267.15
IUPAC Namemethyl 3-amino-3-(3,4-dimethoxyphenyl)-2,2-dimethylpropanoate
SMILESCOC(=O)C(C)(C)C(N)c1ccc(OC)c(OC)c1
InChIInChI=1S/C14H21NO4/c1-14(2,13(16)19-5)12(15)9-6-7-10(17-3)11(8-9)18-4/h6-8,12H,15H2,1-5H3
InChIKeyALYMVOQNWDKOJJ-UHFFFAOYSA-N
XLogP1.90
TPSA70.78 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.32
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze methyl 3-amino-3-(3,4-dimethoxyphenyl)-2,2-dimethylpropanoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

methyl (3R)-3-amino-3-(4-methoxy-3-methylphenyl)-2,2-dimethylpropanoate
CID 171244192
methyl (3S)-3-amino-3-(3-ethoxy-4-methoxyphenyl)-2,2-dimethylpropanoate;hydrochloride
CID 171250033
methyl (3R)-3-amino-3-(3-bromo-4-methoxyphenyl)-2,2-dimethylpropanoate;hydrochloride
CID 171241590
methyl (3R)-3-amino-3-(4-hydroxy-3,5-dimethoxyphenyl)-2,2-dimethylpropanoate;hydrochloride
CID 171239472
methyl (3S)-3-amino-3-(4-methoxy-3-nitrophenyl)-2,2-dimethylpropanoate;hydrochloride
CID 171247321
methyl (3R)-3-amino-3-(4-methoxy-3-nitrophenyl)-2,2-dimethylpropanoate;hydrochloride
CID 171240607
methyl 3-amino-3-(3,4-difluorophenyl)-2,2-dimethylpropanoate
CID 116940287
methyl (3S)-3-amino-2,2-dimethyl-3-(2,4,5-trimethoxyphenyl)propanoate
CID 171246080
[4-[(1R)-1-amino-2,2-dimethylpropyl]-2-methoxyphenyl] acetate
CID 171250068
methyl (3S)-3-amino-3-(4-bromo-3-fluorophenyl)-2,2-dimethylpropanoate
CID 171246949
5-[(1R)-1-amino-3-methoxy-2,2-dimethyl-3-oxopropyl]-2-hydroxybenzoic acid
CID 171243556
methyl (3R)-3-amino-3-(3-fluorophenyl)-2,2-dimethylpropanoate
CID 171239221

Frequently Asked Questions

What is the IUPAC name of methyl 3-amino-3-(3,4-dimethoxyphenyl)-2,2-dimethylpropanoate?
The IUPAC name of methyl 3-amino-3-(3,4-dimethoxyphenyl)-2,2-dimethylpropanoate (CID 116940265) is methyl 3-amino-3-(3,4-dimethoxyphenyl)-2,2-dimethylpropanoate.
What is the SMILES notation for methyl 3-amino-3-(3,4-dimethoxyphenyl)-2,2-dimethylpropanoate?
The canonical SMILES for methyl 3-amino-3-(3,4-dimethoxyphenyl)-2,2-dimethylpropanoate is COC(=O)C(C)(C)C(N)c1ccc(OC)c(OC)c1.
What is the InChIKey of methyl 3-amino-3-(3,4-dimethoxyphenyl)-2,2-dimethylpropanoate?
The InChIKey is ALYMVOQNWDKOJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO4/c1-14(2,13(16)19-5)12(15)9-6-7-10(17-3)11(8-9)18-4/h6-8,12H,15H2,1-5H3.
What are the key properties of methyl 3-amino-3-(3,4-dimethoxyphenyl)-2,2-dimethylpropanoate?
methyl 3-amino-3-(3,4-dimethoxyphenyl)-2,2-dimethylpropanoate has a molecular weight of 267.32 g/mol, XLogP of 1.90, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-amino-3-(3,4-dimethoxyphenyl)-2,2-dimethylpropanoate is sourced from PubChem (CID 116940265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).