2-[2-(dimethylamino)ethyl-[1-(4-methylphenyl)propyl]amino]acetic acid

C16H26N2O2 — CID 107426247

IUPAC2-[2-(dimethylamino)ethyl-[1-(4-methylphenyl)propyl]amino]acetic acid
SMILESCCC(c1ccc(C)cc1)N(CCN(C)C)CC(=O)O
InChIInChI=1S/C16H26N2O2/c1-5-15(14-8-6-13(2)7-9-14)18(12-16(19)20)11-10-17(3)4/h6-9,15H,5,10-12H2,1-4H3,(H,19,20)
InChIKeyBAXDYRUVBIMTBP-UHFFFAOYSA-N
MW278.40 g/mol
LogP2.39
Rot. Bonds8

About 2-[2-(dimethylamino)ethyl-[1-(4-methylphenyl)propyl]amino]acetic acid

2-[2-(dimethylamino)ethyl-[1-(4-methylphenyl)propyl]amino]acetic acid (PubChem CID 107426247) has the molecular formula C16H26N2O2 and a molecular weight of 278.40 g/mol. Its IUPAC name is 2-[2-(dimethylamino)ethyl-[1-(4-methylphenyl)propyl]amino]acetic acid.

Molecular Properties

Compound Name2-[2-(dimethylamino)ethyl-[1-(4-methylphenyl)propyl]amino]acetic acid
PubChem CID107426247
Molecular FormulaC16H26N2O2
Molecular Weight278.40 g/mol
Exact Mass278.20
IUPAC Name2-[2-(dimethylamino)ethyl-[1-(4-methylphenyl)propyl]amino]acetic acid
SMILESCCC(c1ccc(C)cc1)N(CCN(C)C)CC(=O)O
InChIInChI=1S/C16H26N2O2/c1-5-15(14-8-6-13(2)7-9-14)18(12-16(19)20)11-10-17(3)4/h6-9,15H,5,10-12H2,1-4H3,(H,19,20)
InChIKeyBAXDYRUVBIMTBP-UHFFFAOYSA-N
XLogP2.39
TPSA43.78 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.40
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(dimethylamino)ethyl-[1-(4-methylphenyl)propyl]amino]acetic acid?
The IUPAC name of 2-[2-(dimethylamino)ethyl-[1-(4-methylphenyl)propyl]amino]acetic acid (CID 107426247) is 2-[2-(dimethylamino)ethyl-[1-(4-methylphenyl)propyl]amino]acetic acid.
What is the SMILES notation for 2-[2-(dimethylamino)ethyl-[1-(4-methylphenyl)propyl]amino]acetic acid?
The canonical SMILES for 2-[2-(dimethylamino)ethyl-[1-(4-methylphenyl)propyl]amino]acetic acid is CCC(c1ccc(C)cc1)N(CCN(C)C)CC(=O)O.
What is the InChIKey of 2-[2-(dimethylamino)ethyl-[1-(4-methylphenyl)propyl]amino]acetic acid?
The InChIKey is BAXDYRUVBIMTBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O2/c1-5-15(14-8-6-13(2)7-9-14)18(12-16(19)20)11-10-17(3)4/h6-9,15H,5,10-12H2,1-4H3,(H,19,20).
What are the key properties of 2-[2-(dimethylamino)ethyl-[1-(4-methylphenyl)propyl]amino]acetic acid?
2-[2-(dimethylamino)ethyl-[1-(4-methylphenyl)propyl]amino]acetic acid has a molecular weight of 278.40 g/mol, XLogP of 2.39, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(dimethylamino)ethyl-[1-(4-methylphenyl)propyl]amino]acetic acid is sourced from PubChem (CID 107426247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).