2-[2-(2,5-dimethoxy-3,4-dimethylphenyl)ethylamino]acetic acid

C14H21NO4 — CID 115218097

IUPAC2-[2-(2,5-dimethoxy-3,4-dimethylphenyl)ethylamino]acetic acid
SMILESCOc1cc(CCNCC(=O)O)c(OC)c(C)c1C
InChIInChI=1S/C14H21NO4/c1-9-10(2)14(19-4)11(7-12(9)18-3)5-6-15-8-13(16)17/h7,15H,5-6,8H2,1-4H3,(H,16,17)
InChIKeyJPUFEPVSIOQBLG-UHFFFAOYSA-N
MW267.32 g/mol
LogP1.54
Rot. Bonds7

About 2-[2-(2,5-dimethoxy-3,4-dimethylphenyl)ethylamino]acetic acid

2-[2-(2,5-dimethoxy-3,4-dimethylphenyl)ethylamino]acetic acid (PubChem CID 115218097) has the molecular formula C14H21NO4 and a molecular weight of 267.32 g/mol. Its IUPAC name is 2-[2-(2,5-dimethoxy-3,4-dimethylphenyl)ethylamino]acetic acid.

Molecular Properties

Compound Name2-[2-(2,5-dimethoxy-3,4-dimethylphenyl)ethylamino]acetic acid
PubChem CID115218097
Molecular FormulaC14H21NO4
Molecular Weight267.32 g/mol
Exact Mass267.15
IUPAC Name2-[2-(2,5-dimethoxy-3,4-dimethylphenyl)ethylamino]acetic acid
SMILESCOc1cc(CCNCC(=O)O)c(OC)c(C)c1C
InChIInChI=1S/C14H21NO4/c1-9-10(2)14(19-4)11(7-12(9)18-3)5-6-15-8-13(16)17/h7,15H,5-6,8H2,1-4H3,(H,16,17)
InChIKeyJPUFEPVSIOQBLG-UHFFFAOYSA-N
XLogP1.54
TPSA67.79 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.32
LogP ≤ 51.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-[2-(2-methoxy-3,5-dimethylphenyl)ethylamino]acetic acid
CID 112518242
methyl 3-(2,5-dimethoxy-3,4-dimethylphenyl)propanoate
CID 116927465
2-[2-(2,5-difluoro-4-methoxyphenyl)ethylamino]acetic acid
CID 112518457
methyl 2-(2,5-dimethoxy-3,4-dimethylphenyl)acetate
CID 15812003
3-(3-bromo-2,5-dimethoxy-4-methylphenyl)propanoic acid
CID 117488026
2-[(4,5-dimethoxy-2-methylphenyl)methylamino]acetic acid
CID 43465736
2-(2,5-dimethoxy-3,4-dimethylphenyl)ethanamine
CID 22238091
4-(2,5-dimethoxy-3,4-dimethylphenyl)butan-1-ol
CID 116926714
4-[2-(2-methoxy-4,5-dimethylphenyl)ethylamino]butanoic acid
CID 115218709
1-[2-(2,5-dimethoxy-3,4-dimethylphenyl)ethyl]-1-methylurea
CID 115168734
1-[(2,5-dimethoxy-3,4-dimethylphenyl)methyl]-3-methylurea
CID 115169191
1-[2-(5-chloro-2-methoxy-3-methylphenyl)ethylamino]propan-2-one
CID 115235019

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2,5-dimethoxy-3,4-dimethylphenyl)ethylamino]acetic acid?
The IUPAC name of 2-[2-(2,5-dimethoxy-3,4-dimethylphenyl)ethylamino]acetic acid (CID 115218097) is 2-[2-(2,5-dimethoxy-3,4-dimethylphenyl)ethylamino]acetic acid.
What is the SMILES notation for 2-[2-(2,5-dimethoxy-3,4-dimethylphenyl)ethylamino]acetic acid?
The canonical SMILES for 2-[2-(2,5-dimethoxy-3,4-dimethylphenyl)ethylamino]acetic acid is COc1cc(CCNCC(=O)O)c(OC)c(C)c1C.
What is the InChIKey of 2-[2-(2,5-dimethoxy-3,4-dimethylphenyl)ethylamino]acetic acid?
The InChIKey is JPUFEPVSIOQBLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO4/c1-9-10(2)14(19-4)11(7-12(9)18-3)5-6-15-8-13(16)17/h7,15H,5-6,8H2,1-4H3,(H,16,17).
What are the key properties of 2-[2-(2,5-dimethoxy-3,4-dimethylphenyl)ethylamino]acetic acid?
2-[2-(2,5-dimethoxy-3,4-dimethylphenyl)ethylamino]acetic acid has a molecular weight of 267.32 g/mol, XLogP of 1.54, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2,5-dimethoxy-3,4-dimethylphenyl)ethylamino]acetic acid is sourced from PubChem (CID 115218097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).