2-[2-(dimethylamino)ethyl-[4-(4-hydroxyphenyl)butan-2-yl]amino]acetic acid

C16H26N2O3 — CID 107426370

IUPAC2-[2-(dimethylamino)ethyl-[4-(4-hydroxyphenyl)butan-2-yl]amino]acetic acid
SMILESCC(CCc1ccc(O)cc1)N(CCN(C)C)CC(=O)O
InChIInChI=1S/C16H26N2O3/c1-13(4-5-14-6-8-15(19)9-7-14)18(12-16(20)21)11-10-17(2)3/h6-9,13,19H,4-5,10-12H2,1-3H3,(H,20,21)
InChIKeyOAFQKNWMMMRYLU-UHFFFAOYSA-N
MW294.39 g/mol
LogP1.66
Rot. Bonds9

About 2-[2-(dimethylamino)ethyl-[4-(4-hydroxyphenyl)butan-2-yl]amino]acetic acid

2-[2-(dimethylamino)ethyl-[4-(4-hydroxyphenyl)butan-2-yl]amino]acetic acid (PubChem CID 107426370) has the molecular formula C16H26N2O3 and a molecular weight of 294.39 g/mol. Its IUPAC name is 2-[2-(dimethylamino)ethyl-[4-(4-hydroxyphenyl)butan-2-yl]amino]acetic acid.

Molecular Properties

Compound Name2-[2-(dimethylamino)ethyl-[4-(4-hydroxyphenyl)butan-2-yl]amino]acetic acid
PubChem CID107426370
Molecular FormulaC16H26N2O3
Molecular Weight294.39 g/mol
Exact Mass294.19
IUPAC Name2-[2-(dimethylamino)ethyl-[4-(4-hydroxyphenyl)butan-2-yl]amino]acetic acid
SMILESCC(CCc1ccc(O)cc1)N(CCN(C)C)CC(=O)O
InChIInChI=1S/C16H26N2O3/c1-13(4-5-14-6-8-15(19)9-7-14)18(12-16(20)21)11-10-17(2)3/h6-9,13,19H,4-5,10-12H2,1-3H3,(H,20,21)
InChIKeyOAFQKNWMMMRYLU-UHFFFAOYSA-N
XLogP1.66
TPSA64.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.39
LogP ≤ 51.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[2-(dimethylamino)ethyl-[1-(4-propylphenyl)ethyl]amino]acetic acid
CID 107426164
4-[4-(4-hydroxyphenyl)butan-2-yl-methylamino]butanoic acid
CID 65067870
2-[2-(dimethylamino)ethyl-heptan-2-ylamino]acetic acid
CID 107426142
4-[4-(4-hydroxyphenyl)butan-2-yl-propan-2-ylamino]butanoic acid
CID 65058434
3-[4-(4-hydroxyphenyl)butan-2-yl-methylamino]-2-methylpropanoic acid
CID 65067286
2-[2-(dimethylamino)ethyl-[1-(4-propan-2-ylphenyl)ethyl]amino]acetic acid
CID 107426146
2-[4-(4-hydroxyphenyl)butan-2-yl-propan-2-ylamino]acetamide
CID 82978784
2-[1-(2,6-dihydroxyphenyl)ethyl-[2-(dimethylamino)ethyl]amino]acetic acid
CID 107711650
4-[2-[2-(dimethylamino)ethyl-(2-methylpropyl)amino]propyl]phenol
CID 82982431
2-[1-(4-hydroxyphenyl)propan-2-yl-(2,2,2-trifluoroethyl)amino]acetic acid
CID 115496221
4-[3-[methyl(2-methylbutan-2-yl)amino]butyl]phenol
CID 82981079
4-[3-[(3-amino-4-methylpentyl)-methylamino]butyl]phenol
CID 115317129

Frequently Asked Questions

What is the IUPAC name of 2-[2-(dimethylamino)ethyl-[4-(4-hydroxyphenyl)butan-2-yl]amino]acetic acid?
The IUPAC name of 2-[2-(dimethylamino)ethyl-[4-(4-hydroxyphenyl)butan-2-yl]amino]acetic acid (CID 107426370) is 2-[2-(dimethylamino)ethyl-[4-(4-hydroxyphenyl)butan-2-yl]amino]acetic acid.
What is the SMILES notation for 2-[2-(dimethylamino)ethyl-[4-(4-hydroxyphenyl)butan-2-yl]amino]acetic acid?
The canonical SMILES for 2-[2-(dimethylamino)ethyl-[4-(4-hydroxyphenyl)butan-2-yl]amino]acetic acid is CC(CCc1ccc(O)cc1)N(CCN(C)C)CC(=O)O.
What is the InChIKey of 2-[2-(dimethylamino)ethyl-[4-(4-hydroxyphenyl)butan-2-yl]amino]acetic acid?
The InChIKey is OAFQKNWMMMRYLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O3/c1-13(4-5-14-6-8-15(19)9-7-14)18(12-16(20)21)11-10-17(2)3/h6-9,13,19H,4-5,10-12H2,1-3H3,(H,20,21).
What are the key properties of 2-[2-(dimethylamino)ethyl-[4-(4-hydroxyphenyl)butan-2-yl]amino]acetic acid?
2-[2-(dimethylamino)ethyl-[4-(4-hydroxyphenyl)butan-2-yl]amino]acetic acid has a molecular weight of 294.39 g/mol, XLogP of 1.66, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(dimethylamino)ethyl-[4-(4-hydroxyphenyl)butan-2-yl]amino]acetic acid is sourced from PubChem (CID 107426370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).