2-[2-[(2-hydroxyethylamino)methyl]phenoxy]acetic acid

C11H15NO4 — CID 57411892

IUPAC2-[2-[(2-hydroxyethylamino)methyl]phenoxy]acetic acid
SMILESO=C(O)COc1ccccc1CNCCO
InChIInChI=1S/C11H15NO4/c13-6-5-12-7-9-3-1-2-4-10(9)16-8-11(14)15/h1-4,12-13H,5-8H2,(H,14,15)
InChIKeyWLDZVRLPICSITI-UHFFFAOYSA-N
MW225.24 g/mol
LogP0.23
Rot. Bonds7

About 2-[2-[(2-hydroxyethylamino)methyl]phenoxy]acetic acid

2-[2-[(2-hydroxyethylamino)methyl]phenoxy]acetic acid (PubChem CID 57411892) has the molecular formula C11H15NO4 and a molecular weight of 225.24 g/mol. Its IUPAC name is 2-[2-[(2-hydroxyethylamino)methyl]phenoxy]acetic acid.

Molecular Properties

Compound Name2-[2-[(2-hydroxyethylamino)methyl]phenoxy]acetic acid
PubChem CID57411892
Molecular FormulaC11H15NO4
Molecular Weight225.24 g/mol
Exact Mass225.10
IUPAC Name2-[2-[(2-hydroxyethylamino)methyl]phenoxy]acetic acid
SMILESO=C(O)COc1ccccc1CNCCO
InChIInChI=1S/C11H15NO4/c13-6-5-12-7-9-3-1-2-4-10(9)16-8-11(14)15/h1-4,12-13H,5-8H2,(H,14,15)
InChIKeyWLDZVRLPICSITI-UHFFFAOYSA-N
XLogP0.23
TPSA78.79 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.24
LogP ≤ 50.23
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-[2-[(2-phenylethylamino)methyl]phenoxy]acetic acid;hydrochloride
CID 163331581
2-[2-(hydrazinylmethyl)phenoxy]acetic acid
CID 130403139
2-[2-(anilinomethyl)phenoxy]acetic acid
CID 126116290
2-[2-[(pyridin-3-ylmethylamino)methyl]phenoxy]acetic acid
CID 57411895
2-[(2-prop-2-enoxyphenyl)methylamino]ethanol
CID 7937309
2-[3-[(2-phenylmethoxyphenyl)methylamino]propylamino]ethanol
CID 17214025
2-[3-[(2-phenylmethoxyphenyl)methylamino]propylamino]ethanol;dihydrochloride
CID 17214024
2-[2-(aminomethyl)phenoxy]acetic acid
CID 15103326
2-[2-(fluoromethyl)phenoxy]acetic acid
CID 70537240
2-[2-(carboxymethoxy)phenoxy]acetic acid;hydrate
CID 121199307
2-[2-[(2-methoxyphenyl)methylamino]ethylamino]ethanol;dihydrochloride
CID 17294920
2-[2-[[[(2R)-oxolan-2-yl]methylamino]methyl]phenoxy]acetic acid
CID 95003278

Frequently Asked Questions

What is the IUPAC name of 2-[2-[(2-hydroxyethylamino)methyl]phenoxy]acetic acid?
The IUPAC name of 2-[2-[(2-hydroxyethylamino)methyl]phenoxy]acetic acid (CID 57411892) is 2-[2-[(2-hydroxyethylamino)methyl]phenoxy]acetic acid.
What is the SMILES notation for 2-[2-[(2-hydroxyethylamino)methyl]phenoxy]acetic acid?
The canonical SMILES for 2-[2-[(2-hydroxyethylamino)methyl]phenoxy]acetic acid is O=C(O)COc1ccccc1CNCCO.
What is the InChIKey of 2-[2-[(2-hydroxyethylamino)methyl]phenoxy]acetic acid?
The InChIKey is WLDZVRLPICSITI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO4/c13-6-5-12-7-9-3-1-2-4-10(9)16-8-11(14)15/h1-4,12-13H,5-8H2,(H,14,15).
What are the key properties of 2-[2-[(2-hydroxyethylamino)methyl]phenoxy]acetic acid?
2-[2-[(2-hydroxyethylamino)methyl]phenoxy]acetic acid has a molecular weight of 225.24 g/mol, XLogP of 0.23, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(2-hydroxyethylamino)methyl]phenoxy]acetic acid is sourced from PubChem (CID 57411892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).