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

L-Alanyl-L-tyrosine
CID 92946
N,N'-Bis(2-hydroxybenzyl)ethylenediamine-N,N'-diacetic acid
CID 37336
Tyr-Ala
CID 5496455
DL-Leu-DL-Tyr
CID 273262
Val-Tyr
CID 7009555
Isoleucyltyrosine
CID 342468
Lys-Tyr
CID 7021820
Leucyltyrosine
CID 70410
2-[[2-Amino-3-(4-hydroxyphenyl)propanoyl]amino]propanoic acid
CID 4078684
Tyrosine Leucine dipeptide
CID 4466134
Tyrosylisoleucine
CID 14282475
Tyrosylvaline
CID 14767562

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).