2-(2-hydroxyethylamino)-2-(2-hydroxyphenyl)acetic acid

C10H13NO4 — CID 129275046

IUPAC2-(2-hydroxyethylamino)-2-(2-hydroxyphenyl)acetic acid
SMILESO=C(O)C(NCCO)c1ccccc1O
InChIInChI=1S/C10H13NO4/c12-6-5-11-9(10(14)15)7-3-1-2-4-8(7)13/h1-4,9,11-13H,5-6H2,(H,14,15)
InChIKeyUIVXHZADVMDJBJ-UHFFFAOYSA-N
MW211.22 g/mol
LogP0.10
Rot. Bonds5

About 2-(2-hydroxyethylamino)-2-(2-hydroxyphenyl)acetic acid

2-(2-hydroxyethylamino)-2-(2-hydroxyphenyl)acetic acid (PubChem CID 129275046) has the molecular formula C10H13NO4 and a molecular weight of 211.22 g/mol. Its IUPAC name is 2-(2-hydroxyethylamino)-2-(2-hydroxyphenyl)acetic acid.

Molecular Properties

Compound Name2-(2-hydroxyethylamino)-2-(2-hydroxyphenyl)acetic acid
PubChem CID129275046
Molecular FormulaC10H13NO4
Molecular Weight211.22 g/mol
Exact Mass211.08
IUPAC Name2-(2-hydroxyethylamino)-2-(2-hydroxyphenyl)acetic acid
SMILESO=C(O)C(NCCO)c1ccccc1O
InChIInChI=1S/C10H13NO4/c12-6-5-11-9(10(14)15)7-3-1-2-4-8(7)13/h1-4,9,11-13H,5-6H2,(H,14,15)
InChIKeyUIVXHZADVMDJBJ-UHFFFAOYSA-N
XLogP0.10
TPSA89.79 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.22
LogP ≤ 50.10
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}

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Related Compounds

2-[2-[[carboxy-(2-hydroxyphenyl)methyl]amino]ethylamino]-2-(2-hydroxyphenyl)acetic acid
CID 14432
2-(5-hydroxypentylamino)-2-(2-hydroxyphenyl)acetic acid
CID 158765005
2-[2-[[2-amino-1-(2-hydroxyphenyl)-2-oxoethyl]amino]ethylamino]-2-(2-hydroxyphenyl)acetic acid
CID 71300819
2-(2-hydroxyphenyl)-2-(prop-2-enylamino)acetic acid
CID 116684987
2-[2-[[formyloxy-(2-hydroxyphenyl)methyl]amino]ethylamino]-2-(2-hydroxyphenyl)acetic acid
CID 58038872
2-[1-[[carboxy-(2-hydroxyphenyl)methyl]amino]ethylamino]-2-(2-hydroxyphenyl)acetic acid
CID 141037281
2-(2-hydroxyphenyl)-2-[2-[1H-imidazol-2-yl(methyl)amino]ethylamino]acetic acid
CID 67157077
3-[[carboxy-(2-chlorophenyl)methyl]amino]propanoic acid
CID 84746174
ethyl 2-(2-hydroxyphenyl)-2-(propylamino)acetate
CID 116684887
2-[2-[2-[carboxymethyl(2-hydroxyethyl)amino]phenoxy]phenyl]-2-(2-hydroxyethylamino)acetic acid
CID 162778730
2-(ethoxycarbonylamino)-2-(2-hydroxyphenyl)acetic acid
CID 12508749
2-(2-hydroxyphenyl)-2-(2-methoxyethylamino)acetamide
CID 116684995

Frequently Asked Questions

What is the IUPAC name of 2-(2-hydroxyethylamino)-2-(2-hydroxyphenyl)acetic acid?
The IUPAC name of 2-(2-hydroxyethylamino)-2-(2-hydroxyphenyl)acetic acid (CID 129275046) is 2-(2-hydroxyethylamino)-2-(2-hydroxyphenyl)acetic acid.
What is the SMILES notation for 2-(2-hydroxyethylamino)-2-(2-hydroxyphenyl)acetic acid?
The canonical SMILES for 2-(2-hydroxyethylamino)-2-(2-hydroxyphenyl)acetic acid is O=C(O)C(NCCO)c1ccccc1O.
What is the InChIKey of 2-(2-hydroxyethylamino)-2-(2-hydroxyphenyl)acetic acid?
The InChIKey is UIVXHZADVMDJBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13NO4/c12-6-5-11-9(10(14)15)7-3-1-2-4-8(7)13/h1-4,9,11-13H,5-6H2,(H,14,15).
What are the key properties of 2-(2-hydroxyethylamino)-2-(2-hydroxyphenyl)acetic acid?
2-(2-hydroxyethylamino)-2-(2-hydroxyphenyl)acetic acid has a molecular weight of 211.22 g/mol, XLogP of 0.10, 5 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-hydroxyethylamino)-2-(2-hydroxyphenyl)acetic acid is sourced from PubChem (CID 129275046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).