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

C17H28N2O2 — CID 107426164

IUPAC2-[2-(dimethylamino)ethyl-[1-(4-propylphenyl)ethyl]amino]acetic acid
SMILESCCCc1ccc(C(C)N(CCN(C)C)CC(=O)O)cc1
InChIInChI=1S/C17H28N2O2/c1-5-6-15-7-9-16(10-8-15)14(2)19(13-17(20)21)12-11-18(3)4/h7-10,14H,5-6,11-13H2,1-4H3,(H,20,21)
InChIKeyKLEJRRYARZPKDB-UHFFFAOYSA-N
MW292.42 g/mol
LogP2.65
Rot. Bonds9

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

2-[2-(dimethylamino)ethyl-[1-(4-propylphenyl)ethyl]amino]acetic acid (PubChem CID 107426164) has the molecular formula C17H28N2O2 and a molecular weight of 292.42 g/mol. Its IUPAC name is 2-[2-(dimethylamino)ethyl-[1-(4-propylphenyl)ethyl]amino]acetic acid.

Molecular Properties

Compound Name2-[2-(dimethylamino)ethyl-[1-(4-propylphenyl)ethyl]amino]acetic acid
PubChem CID107426164
Molecular FormulaC17H28N2O2
Molecular Weight292.42 g/mol
Exact Mass292.22
IUPAC Name2-[2-(dimethylamino)ethyl-[1-(4-propylphenyl)ethyl]amino]acetic acid
SMILESCCCc1ccc(C(C)N(CCN(C)C)CC(=O)O)cc1
InChIInChI=1S/C17H28N2O2/c1-5-6-15-7-9-16(10-8-15)14(2)19(13-17(20)21)12-11-18(3)4/h7-10,14H,5-6,11-13H2,1-4H3,(H,20,21)
InChIKeyKLEJRRYARZPKDB-UHFFFAOYSA-N
XLogP2.65
TPSA43.78 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.42
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-[2-(dimethylamino)ethyl-[1-(4-propylphenyl)ethyl]amino]acetic acid with MolForge

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

Launch Full Analysis

Related Compounds

2-[2-(dimethylamino)ethyl-[1-(4-propan-2-ylphenyl)ethyl]amino]acetic acid
CID 107426146
2-[2-(dimethylamino)ethyl-[4-(4-hydroxyphenyl)butan-2-yl]amino]acetic acid
CID 107426370
2-[carboxymethyl-[1-(4-ethylphenyl)ethyl]amino]acetic acid
CID 65065586
2-[1-(4-bromophenyl)ethyl-propylamino]acetic acid
CID 65064536
2-[pentyl(1-phenylethyl)amino]acetic acid
CID 70551743
2-[1-(2,6-dihydroxyphenyl)ethyl-[2-(dimethylamino)ethyl]amino]acetic acid
CID 107711650
2-[carboxymethyl-[1-(4-propan-2-ylphenyl)ethyl]amino]acetic acid
CID 65065744
2-[2-(dimethylamino)ethyl-[1-(4-methylphenyl)propyl]amino]acetic acid
CID 107426247
2-[1-(5-bromofuran-2-yl)ethyl-[2-(dimethylamino)ethyl]amino]acetic acid
CID 107426260
2-[2-(dimethylamino)ethyl-heptan-2-ylamino]acetic acid
CID 107426142
2-(4-propylphenyl)propanoic acid
CID 14880971
2-[2-(dimethylamino)ethyl-[1-(2-methoxyphenyl)ethyl]amino]acetic acid
CID 107426423

Frequently Asked Questions

What is the IUPAC name of 2-[2-(dimethylamino)ethyl-[1-(4-propylphenyl)ethyl]amino]acetic acid?
The IUPAC name of 2-[2-(dimethylamino)ethyl-[1-(4-propylphenyl)ethyl]amino]acetic acid (CID 107426164) is 2-[2-(dimethylamino)ethyl-[1-(4-propylphenyl)ethyl]amino]acetic acid.
What is the SMILES notation for 2-[2-(dimethylamino)ethyl-[1-(4-propylphenyl)ethyl]amino]acetic acid?
The canonical SMILES for 2-[2-(dimethylamino)ethyl-[1-(4-propylphenyl)ethyl]amino]acetic acid is CCCc1ccc(C(C)N(CCN(C)C)CC(=O)O)cc1.
What is the InChIKey of 2-[2-(dimethylamino)ethyl-[1-(4-propylphenyl)ethyl]amino]acetic acid?
The InChIKey is KLEJRRYARZPKDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2O2/c1-5-6-15-7-9-16(10-8-15)14(2)19(13-17(20)21)12-11-18(3)4/h7-10,14H,5-6,11-13H2,1-4H3,(H,20,21).
What are the key properties of 2-[2-(dimethylamino)ethyl-[1-(4-propylphenyl)ethyl]amino]acetic acid?
2-[2-(dimethylamino)ethyl-[1-(4-propylphenyl)ethyl]amino]acetic acid has a molecular weight of 292.42 g/mol, XLogP of 2.65, 9 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-propylphenyl)ethyl]amino]acetic acid is sourced from PubChem (CID 107426164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).