2-[4-[[2-methoxyethyl(2-methylpropyl)amino]methyl]phenyl]propanoic acid

C17H27NO3 — CID 105345830

IUPAC2-[4-[[2-methoxyethyl(2-methylpropyl)amino]methyl]phenyl]propanoic acid
SMILESCOCCN(Cc1ccc(C(C)C(=O)O)cc1)CC(C)C
InChIInChI=1S/C17H27NO3/c1-13(2)11-18(9-10-21-4)12-15-5-7-16(8-6-15)14(3)17(19)20/h5-8,13-14H,9-12H2,1-4H3,(H,19,20)
InChIKeyDULKQXVLIJMMSK-UHFFFAOYSA-N
MW293.41 g/mol
LogP2.98
Rot. Bonds9

About 2-[4-[[2-methoxyethyl(2-methylpropyl)amino]methyl]phenyl]propanoic acid

2-[4-[[2-methoxyethyl(2-methylpropyl)amino]methyl]phenyl]propanoic acid (PubChem CID 105345830) has the molecular formula C17H27NO3 and a molecular weight of 293.41 g/mol. Its IUPAC name is 2-[4-[[2-methoxyethyl(2-methylpropyl)amino]methyl]phenyl]propanoic acid.

Molecular Properties

Compound Name2-[4-[[2-methoxyethyl(2-methylpropyl)amino]methyl]phenyl]propanoic acid
PubChem CID105345830
Molecular FormulaC17H27NO3
Molecular Weight293.41 g/mol
Exact Mass293.20
IUPAC Name2-[4-[[2-methoxyethyl(2-methylpropyl)amino]methyl]phenyl]propanoic acid
SMILESCOCCN(Cc1ccc(C(C)C(=O)O)cc1)CC(C)C
InChIInChI=1S/C17H27NO3/c1-13(2)11-18(9-10-21-4)12-15-5-7-16(8-6-15)14(3)17(19)20/h5-8,13-14H,9-12H2,1-4H3,(H,19,20)
InChIKeyDULKQXVLIJMMSK-UHFFFAOYSA-N
XLogP2.98
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.41
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-[4-[[2-methoxyethyl(2-methylpropyl)amino]methyl]phenyl]propanoic acid with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[4-[[2-methoxyethyl(2-methylpropyl)amino]methyl]phenyl]propanoic acid?
The IUPAC name of 2-[4-[[2-methoxyethyl(2-methylpropyl)amino]methyl]phenyl]propanoic acid (CID 105345830) is 2-[4-[[2-methoxyethyl(2-methylpropyl)amino]methyl]phenyl]propanoic acid.
What is the SMILES notation for 2-[4-[[2-methoxyethyl(2-methylpropyl)amino]methyl]phenyl]propanoic acid?
The canonical SMILES for 2-[4-[[2-methoxyethyl(2-methylpropyl)amino]methyl]phenyl]propanoic acid is COCCN(Cc1ccc(C(C)C(=O)O)cc1)CC(C)C.
What is the InChIKey of 2-[4-[[2-methoxyethyl(2-methylpropyl)amino]methyl]phenyl]propanoic acid?
The InChIKey is DULKQXVLIJMMSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27NO3/c1-13(2)11-18(9-10-21-4)12-15-5-7-16(8-6-15)14(3)17(19)20/h5-8,13-14H,9-12H2,1-4H3,(H,19,20).
What are the key properties of 2-[4-[[2-methoxyethyl(2-methylpropyl)amino]methyl]phenyl]propanoic acid?
2-[4-[[2-methoxyethyl(2-methylpropyl)amino]methyl]phenyl]propanoic acid has a molecular weight of 293.41 g/mol, XLogP of 2.98, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[[2-methoxyethyl(2-methylpropyl)amino]methyl]phenyl]propanoic acid is sourced from PubChem (CID 105345830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).