2-[[2-[4-(dimethylamino)phenyl]-2-hydroxyethyl]amino]acetic acid

C12H18N2O3 — CID 82315419

IUPAC2-[[2-[4-(dimethylamino)phenyl]-2-hydroxyethyl]amino]acetic acid
SMILESCN(C)c1ccc(C(O)CNCC(=O)O)cc1
InChIInChI=1S/C12H18N2O3/c1-14(2)10-5-3-9(4-6-10)11(15)7-13-8-12(16)17/h3-6,11,13,15H,7-8H2,1-2H3,(H,16,17)
InChIKeyUBEKWDRAJSFLNO-UHFFFAOYSA-N
MW238.29 g/mol
LogP0.46
Rot. Bonds6

About 2-[[2-[4-(dimethylamino)phenyl]-2-hydroxyethyl]amino]acetic acid

2-[[2-[4-(dimethylamino)phenyl]-2-hydroxyethyl]amino]acetic acid (PubChem CID 82315419) has the molecular formula C12H18N2O3 and a molecular weight of 238.29 g/mol. Its IUPAC name is 2-[[2-[4-(dimethylamino)phenyl]-2-hydroxyethyl]amino]acetic acid.

Molecular Properties

Compound Name2-[[2-[4-(dimethylamino)phenyl]-2-hydroxyethyl]amino]acetic acid
PubChem CID82315419
Molecular FormulaC12H18N2O3
Molecular Weight238.29 g/mol
Exact Mass238.13
IUPAC Name2-[[2-[4-(dimethylamino)phenyl]-2-hydroxyethyl]amino]acetic acid
SMILESCN(C)c1ccc(C(O)CNCC(=O)O)cc1
InChIInChI=1S/C12H18N2O3/c1-14(2)10-5-3-9(4-6-10)11(15)7-13-8-12(16)17/h3-6,11,13,15H,7-8H2,1-2H3,(H,16,17)
InChIKeyUBEKWDRAJSFLNO-UHFFFAOYSA-N
XLogP0.46
TPSA72.80 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.29
LogP ≤ 50.46
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_D(198)', 'substructure': 'N/A'}, {'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

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Related Compounds

(3R)-3-[4-(dimethylamino)phenyl]-3-hydroxypropanoic acid
CID 95440369
2-[[2-(4-acetamidophenyl)-2-hydroxyethyl]amino]acetic acid
CID 82314595
N'-[2-[4-(dimethylamino)phenyl]-2-hydroxyethyl]-N-(2-methylpropyl)oxamide
CID 90581629
2-[[2-hydroxy-2-(4-propan-2-yloxyphenyl)ethyl]amino]acetic acid
CID 82314145
2-[[2-[4-(dimethylamino)phenyl]-2-hydroxyethyl]amino]pentanoic acid
CID 82315438
2-[[2-(3,4-diethoxyphenyl)-2-hydroxyethyl]amino]acetic acid
CID 82315710
N-[2-[4-(dimethylamino)phenyl]-2-hydroxyethyl]-3,5-dimethylbenzamide
CID 90581411
N-[2-[4-(dimethylamino)phenyl]-2-hydroxyethyl]-N'-(2,2,2-trifluoroethyl)oxamide
CID 90581699
2-[4-(dimethylamino)anilino]acetic acid
CID 28744032
N-[(2R)-2-[4-(dimethylamino)phenyl]-2-hydroxyethyl]-2-ethylsulfanylbenzamide
CID 97105946
N-[2-[4-(dimethylamino)phenyl]-2-hydroxyethyl]-2,4,6-trimethylbenzamide
CID 90581428
2-[(2-hydroxy-2-phenylethyl)amino]-N,N-diphenylacetamide
CID 140529749

Frequently Asked Questions

What is the IUPAC name of 2-[[2-[4-(dimethylamino)phenyl]-2-hydroxyethyl]amino]acetic acid?
The IUPAC name of 2-[[2-[4-(dimethylamino)phenyl]-2-hydroxyethyl]amino]acetic acid (CID 82315419) is 2-[[2-[4-(dimethylamino)phenyl]-2-hydroxyethyl]amino]acetic acid.
What is the SMILES notation for 2-[[2-[4-(dimethylamino)phenyl]-2-hydroxyethyl]amino]acetic acid?
The canonical SMILES for 2-[[2-[4-(dimethylamino)phenyl]-2-hydroxyethyl]amino]acetic acid is CN(C)c1ccc(C(O)CNCC(=O)O)cc1.
What is the InChIKey of 2-[[2-[4-(dimethylamino)phenyl]-2-hydroxyethyl]amino]acetic acid?
The InChIKey is UBEKWDRAJSFLNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O3/c1-14(2)10-5-3-9(4-6-10)11(15)7-13-8-12(16)17/h3-6,11,13,15H,7-8H2,1-2H3,(H,16,17).
What are the key properties of 2-[[2-[4-(dimethylamino)phenyl]-2-hydroxyethyl]amino]acetic acid?
2-[[2-[4-(dimethylamino)phenyl]-2-hydroxyethyl]amino]acetic acid has a molecular weight of 238.29 g/mol, XLogP of 0.46, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-[4-(dimethylamino)phenyl]-2-hydroxyethyl]amino]acetic acid is sourced from PubChem (CID 82315419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).