methyl (2R)-2-(dimethylamino)-3-(2,3,4-trimethylphenyl)propanoate

C15H23NO2 — CID 70617449

IUPACmethyl (2R)-2-(dimethylamino)-3-(2,3,4-trimethylphenyl)propanoate
SMILESCOC(=O)[C@@H](Cc1ccc(C)c(C)c1C)N(C)C
InChIInChI=1S/C15H23NO2/c1-10-7-8-13(12(3)11(10)2)9-14(16(4)5)15(17)18-6/h7-8,14H,9H2,1-6H3/t14-/m1/s1
InChIKeyLLQBJRKGRPVIDD-CQSZACIVSA-N
MW249.35 g/mol
LogP2.26
Rot. Bonds4

About methyl (2R)-2-(dimethylamino)-3-(2,3,4-trimethylphenyl)propanoate

methyl (2R)-2-(dimethylamino)-3-(2,3,4-trimethylphenyl)propanoate (PubChem CID 70617449) has the molecular formula C15H23NO2 and a molecular weight of 249.35 g/mol. Its IUPAC name is methyl (2R)-2-(dimethylamino)-3-(2,3,4-trimethylphenyl)propanoate.

Molecular Properties

Compound Namemethyl (2R)-2-(dimethylamino)-3-(2,3,4-trimethylphenyl)propanoate
PubChem CID70617449
Molecular FormulaC15H23NO2
Molecular Weight249.35 g/mol
Exact Mass249.17
IUPAC Namemethyl (2R)-2-(dimethylamino)-3-(2,3,4-trimethylphenyl)propanoate
SMILESCOC(=O)[C@@H](Cc1ccc(C)c(C)c1C)N(C)C
InChIInChI=1S/C15H23NO2/c1-10-7-8-13(12(3)11(10)2)9-14(16(4)5)15(17)18-6/h7-8,14H,9H2,1-6H3/t14-/m1/s1
InChIKeyLLQBJRKGRPVIDD-CQSZACIVSA-N
XLogP2.26
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.35
LogP ≤ 52.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 2-(dimethylamino)-3-(2-fluoro-4,5-dimethylphenyl)propanoate
CID 58382788
methyl 2-(dimethylamino)-3-(2-fluoro-5-methylphenyl)propanoate
CID 58036872
methyl 2-(dimethylamino)-3-(5-methyl-2-methyliodanuidylphenyl)propanoate
CID 76670037
methyl N-methyl-N-[(2,3,4-trimethylphenyl)methyl]carbamate
CID 115190697
methyl 2-[methyl-[(2,3,4-trimethylphenyl)methyl]amino]acetate
CID 115232994
3-methyl-2-[(2,3,4-trimethylphenyl)methyl]butanoic acid
CID 116930728
3-[methyl-[(2,3,4-trimethylphenyl)methyl]amino]propanoic acid
CID 115218318
methyl 2-(dimethylamino)butanoate
CID 14644900
methyl 2-(dimethylamino)-3-(2-fluoro-4,5-dimethylphenyl)propanoate;methyl 2-(dimethylamino)-3-(2-fluoro-3-methylphenyl)propanoate;methyl 2-(dimethylamino)-3-(2-fluoro-4-methylphenyl)propanoate;methyl 2-(dimethylamino)-3-(2-fluoro-5-methylphenyl)propanoate;methyl 2-(dimethylamino)-3-(3-fluoro-4-methylphenyl)propanoate;methyl 2-(dimethylamino)-3-(4-fluoro-3-methylphenyl)propanoate
CID 158818708
methyl 2-[(2,3,4-trimethylphenyl)methylamino]acetate
CID 115232918
1-methyl-1-[2-(2,3,4-trimethylphenyl)ethyl]urea
CID 115168718
N-methyl-3-(2,3,4-trimethylphenyl)propanehydrazide
CID 116845038

Frequently Asked Questions

What is the IUPAC name of methyl (2R)-2-(dimethylamino)-3-(2,3,4-trimethylphenyl)propanoate?
The IUPAC name of methyl (2R)-2-(dimethylamino)-3-(2,3,4-trimethylphenyl)propanoate (CID 70617449) is methyl (2R)-2-(dimethylamino)-3-(2,3,4-trimethylphenyl)propanoate.
What is the SMILES notation for methyl (2R)-2-(dimethylamino)-3-(2,3,4-trimethylphenyl)propanoate?
The canonical SMILES for methyl (2R)-2-(dimethylamino)-3-(2,3,4-trimethylphenyl)propanoate is COC(=O)[C@@H](Cc1ccc(C)c(C)c1C)N(C)C.
What is the InChIKey of methyl (2R)-2-(dimethylamino)-3-(2,3,4-trimethylphenyl)propanoate?
The InChIKey is LLQBJRKGRPVIDD-CQSZACIVSA-N. The full InChI is InChI=1S/C15H23NO2/c1-10-7-8-13(12(3)11(10)2)9-14(16(4)5)15(17)18-6/h7-8,14H,9H2,1-6H3/t14-/m1/s1.
What are the key properties of methyl (2R)-2-(dimethylamino)-3-(2,3,4-trimethylphenyl)propanoate?
methyl (2R)-2-(dimethylamino)-3-(2,3,4-trimethylphenyl)propanoate has a molecular weight of 249.35 g/mol, XLogP of 2.26, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2R)-2-(dimethylamino)-3-(2,3,4-trimethylphenyl)propanoate is sourced from PubChem (CID 70617449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).