3-[2-(dimethylamino)ethyl-(2-methylpropyl)amino]-2-phenylpropanoic acid

C17H28N2O2 — CID 63068325

IUPAC3-[2-(dimethylamino)ethyl-(2-methylpropyl)amino]-2-phenylpropanoic acid
SMILESCC(C)CN(CCN(C)C)CC(C(=O)O)c1ccccc1
InChIInChI=1S/C17H28N2O2/c1-14(2)12-19(11-10-18(3)4)13-16(17(20)21)15-8-6-5-7-9-15/h5-9,14,16H,10-13H2,1-4H3,(H,20,21)
InChIKeyKHRGOGSZWOETNA-UHFFFAOYSA-N
MW292.42 g/mol
LogP2.37
Rot. Bonds9

About 3-[2-(dimethylamino)ethyl-(2-methylpropyl)amino]-2-phenylpropanoic acid

3-[2-(dimethylamino)ethyl-(2-methylpropyl)amino]-2-phenylpropanoic acid (PubChem CID 63068325) has the molecular formula C17H28N2O2 and a molecular weight of 292.42 g/mol. Its IUPAC name is 3-[2-(dimethylamino)ethyl-(2-methylpropyl)amino]-2-phenylpropanoic acid.

Molecular Properties

Compound Name3-[2-(dimethylamino)ethyl-(2-methylpropyl)amino]-2-phenylpropanoic acid
PubChem CID63068325
Molecular FormulaC17H28N2O2
Molecular Weight292.42 g/mol
Exact Mass292.22
IUPAC Name3-[2-(dimethylamino)ethyl-(2-methylpropyl)amino]-2-phenylpropanoic acid
SMILESCC(C)CN(CCN(C)C)CC(C(=O)O)c1ccccc1
InChIInChI=1S/C17H28N2O2/c1-14(2)12-19(11-10-18(3)4)13-16(17(20)21)15-8-6-5-7-9-15/h5-9,14,16H,10-13H2,1-4H3,(H,20,21)
InChIKeyKHRGOGSZWOETNA-UHFFFAOYSA-N
XLogP2.37
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 ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-amino-N-[2-(dimethylamino)ethyl]-N-(2-methylpropyl)-2-phenylpropanamide
CID 62879070
3-[2,2-difluoroethyl(2-hydroxyethyl)amino]-2-phenylpropanoic acid
CID 107480863
3-[2-(dimethylamino)ethyl-(2-methylpropyl)amino]-2-phenylpropanenitrile
CID 64538576
2-[2-(dimethylamino)ethyl-(3-phenylbutyl)amino]acetic acid
CID 107426148
7-methyl-2-phenyloctanoic acid
CID 83162771
3-[ethyl(2-methylpropyl)amino]-2-phenylpropanehydrazide
CID 64565838
3-(2,2-dimethylhydrazinyl)-2-phenylpropanoic acid
CID 83013948
3-[cyclopentyl(methyl)amino]-2-phenylpropanoic acid
CID 55146888
2-methyl-3-[2-methylpropyl(2-phenylethyl)amino]propanoic acid
CID 82328998
3-[2-(dimethylamino)ethylcarbamoylamino]-2-phenylpropanoic acid
CID 62876756
3-[methyl(1-thiophen-2-ylethyl)amino]-2-phenylpropanoic acid
CID 63068999
1-[2-(dimethylamino)ethyl]-3-[2-(dimethylamino)-2-phenylethyl]-1-(2-methylpropyl)urea
CID 86999370

Frequently Asked Questions

What is the IUPAC name of 3-[2-(dimethylamino)ethyl-(2-methylpropyl)amino]-2-phenylpropanoic acid?
The IUPAC name of 3-[2-(dimethylamino)ethyl-(2-methylpropyl)amino]-2-phenylpropanoic acid (CID 63068325) is 3-[2-(dimethylamino)ethyl-(2-methylpropyl)amino]-2-phenylpropanoic acid.
What is the SMILES notation for 3-[2-(dimethylamino)ethyl-(2-methylpropyl)amino]-2-phenylpropanoic acid?
The canonical SMILES for 3-[2-(dimethylamino)ethyl-(2-methylpropyl)amino]-2-phenylpropanoic acid is CC(C)CN(CCN(C)C)CC(C(=O)O)c1ccccc1.
What is the InChIKey of 3-[2-(dimethylamino)ethyl-(2-methylpropyl)amino]-2-phenylpropanoic acid?
The InChIKey is KHRGOGSZWOETNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2O2/c1-14(2)12-19(11-10-18(3)4)13-16(17(20)21)15-8-6-5-7-9-15/h5-9,14,16H,10-13H2,1-4H3,(H,20,21).
What are the key properties of 3-[2-(dimethylamino)ethyl-(2-methylpropyl)amino]-2-phenylpropanoic acid?
3-[2-(dimethylamino)ethyl-(2-methylpropyl)amino]-2-phenylpropanoic acid has a molecular weight of 292.42 g/mol, XLogP of 2.37, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(dimethylamino)ethyl-(2-methylpropyl)amino]-2-phenylpropanoic acid is sourced from PubChem (CID 63068325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).