2-(4-methoxy-2,3,5-trimethylphenyl)ethyl 2-aminopropanoate

C15H23NO3 — CID 112514975

IUPAC2-(4-methoxy-2,3,5-trimethylphenyl)ethyl 2-aminopropanoate
SMILESCOc1c(C)cc(CCOC(=O)C(C)N)c(C)c1C
InChIInChI=1S/C15H23NO3/c1-9-8-13(6-7-19-15(17)12(4)16)10(2)11(3)14(9)18-5/h8,12H,6-7,16H2,1-5H3
InChIKeyVWPZSFQWZLGFGP-UHFFFAOYSA-N
MW265.35 g/mol
LogP2.05
Rot. Bonds5

About 2-(4-methoxy-2,3,5-trimethylphenyl)ethyl 2-aminopropanoate

2-(4-methoxy-2,3,5-trimethylphenyl)ethyl 2-aminopropanoate (PubChem CID 112514975) has the molecular formula C15H23NO3 and a molecular weight of 265.35 g/mol. Its IUPAC name is 2-(4-methoxy-2,3,5-trimethylphenyl)ethyl 2-aminopropanoate.

Molecular Properties

Compound Name2-(4-methoxy-2,3,5-trimethylphenyl)ethyl 2-aminopropanoate
PubChem CID112514975
Molecular FormulaC15H23NO3
Molecular Weight265.35 g/mol
Exact Mass265.17
IUPAC Name2-(4-methoxy-2,3,5-trimethylphenyl)ethyl 2-aminopropanoate
SMILESCOc1c(C)cc(CCOC(=O)C(C)N)c(C)c1C
InChIInChI=1S/C15H23NO3/c1-9-8-13(6-7-19-15(17)12(4)16)10(2)11(3)14(9)18-5/h8,12H,6-7,16H2,1-5H3
InChIKeyVWPZSFQWZLGFGP-UHFFFAOYSA-N
XLogP2.05
TPSA61.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.35
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(4-methoxy-2,3,5-trimethylphenyl)propan-2-amine
CID 13209710
2-(4-methoxy-2,3,5-trimethylphenyl)ethanol
CID 82469086
1-ethyl-4-methoxy-2,3,5-trimethylbenzene
CID 20747709
1-(4-methoxy-2,3,5-trimethylphenyl)propan-2-ol
CID 117114492
N-[2-(4-methoxy-2,3,5-trimethylphenyl)ethyl]propan-2-amine
CID 96661156
2-(4-methoxy-2,3,5-trimethylphenyl)ethyl-methylcarbamic acid
CID 115171275
2-[2-(4-methoxy-2,3,5-trimethylphenyl)ethyl-methylamino]acetamide
CID 115260246
methyl 2-[(4-methoxy-2,3,5-trimethylphenyl)methyl]butanoate
CID 116931308
1-[2-(4-methoxy-2,3,5-trimethylphenyl)ethylamino]propan-2-ol
CID 112513447
(4-methoxy-2,3,5-trimethylphenyl)methylcarbamic acid
CID 115170855
N-[(4-methoxy-2,3,5-trimethylphenyl)methyl]acetamide
CID 110782878
3-N-[2-(4-methoxy-2,3,5-trimethylphenyl)ethyl]propane-1,2,3-triamine
CID 115119991

Frequently Asked Questions

What is the IUPAC name of 2-(4-methoxy-2,3,5-trimethylphenyl)ethyl 2-aminopropanoate?
The IUPAC name of 2-(4-methoxy-2,3,5-trimethylphenyl)ethyl 2-aminopropanoate (CID 112514975) is 2-(4-methoxy-2,3,5-trimethylphenyl)ethyl 2-aminopropanoate.
What is the SMILES notation for 2-(4-methoxy-2,3,5-trimethylphenyl)ethyl 2-aminopropanoate?
The canonical SMILES for 2-(4-methoxy-2,3,5-trimethylphenyl)ethyl 2-aminopropanoate is COc1c(C)cc(CCOC(=O)C(C)N)c(C)c1C.
What is the InChIKey of 2-(4-methoxy-2,3,5-trimethylphenyl)ethyl 2-aminopropanoate?
The InChIKey is VWPZSFQWZLGFGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO3/c1-9-8-13(6-7-19-15(17)12(4)16)10(2)11(3)14(9)18-5/h8,12H,6-7,16H2,1-5H3.
What are the key properties of 2-(4-methoxy-2,3,5-trimethylphenyl)ethyl 2-aminopropanoate?
2-(4-methoxy-2,3,5-trimethylphenyl)ethyl 2-aminopropanoate has a molecular weight of 265.35 g/mol, XLogP of 2.05, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methoxy-2,3,5-trimethylphenyl)ethyl 2-aminopropanoate is sourced from PubChem (CID 112514975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).