2-(2-hydroxyethylamino)-2-(4-methoxyphenyl)acetic acid

C11H15NO4 — CID 82027139

IUPAC2-(2-hydroxyethylamino)-2-(4-methoxyphenyl)acetic acid
SMILESCOc1ccc(C(NCCO)C(=O)O)cc1
InChIInChI=1S/C11H15NO4/c1-16-9-4-2-8(3-5-9)10(11(14)15)12-6-7-13/h2-5,10,12-13H,6-7H2,1H3,(H,14,15)
InChIKeyWVCAYFBJXLGUJD-UHFFFAOYSA-N
MW225.24 g/mol
LogP0.40
Rot. Bonds6

About 2-(2-hydroxyethylamino)-2-(4-methoxyphenyl)acetic acid

2-(2-hydroxyethylamino)-2-(4-methoxyphenyl)acetic acid (PubChem CID 82027139) has the molecular formula C11H15NO4 and a molecular weight of 225.24 g/mol. Its IUPAC name is 2-(2-hydroxyethylamino)-2-(4-methoxyphenyl)acetic acid.

Molecular Properties

Compound Name2-(2-hydroxyethylamino)-2-(4-methoxyphenyl)acetic acid
PubChem CID82027139
Molecular FormulaC11H15NO4
Molecular Weight225.24 g/mol
Exact Mass225.10
IUPAC Name2-(2-hydroxyethylamino)-2-(4-methoxyphenyl)acetic acid
SMILESCOc1ccc(C(NCCO)C(=O)O)cc1
InChIInChI=1S/C11H15NO4/c1-16-9-4-2-8(3-5-9)10(11(14)15)12-6-7-13/h2-5,10,12-13H,6-7H2,1H3,(H,14,15)
InChIKeyWVCAYFBJXLGUJD-UHFFFAOYSA-N
XLogP0.40
TPSA78.79 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.24
LogP ≤ 50.40
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-2-(benzylamino)-2-(4-methoxyphenyl)acetic acid
CID 10612160
(2S)-2-[(2-chloroacetyl)amino]-2-(4-methoxyphenyl)acetic acid
CID 154100928
(2R)-2-[2-(4-methoxyphenyl)propylamino]-2-phenylacetic acid
CID 122038070
2-(1-hydroxybutan-2-ylamino)-2-(4-methoxyphenyl)acetic acid
CID 82344775
2-[[(4-methoxyphenyl)-(4-methylphenyl)methyl]amino]ethanol
CID 75482273
ethyl 2-(4-methoxyphenyl)-2-(propylamino)acetate
CID 60795637
2-(4-fluorophenyl)-2-(4-methoxyanilino)acetic acid
CID 60991336
2-(4-propan-2-yloxyphenyl)-2-(propylamino)acetic acid
CID 54932626
2-(4-methoxyphenyl)-2-[(2-methylfuran-3-yl)methylamino]acetic acid
CID 166253361
methyl 2-(4-methoxyphenyl)-2-(2-phenylethylamino)acetate
CID 82344726
2-(2,3-dimethylpentanoylamino)-2-(4-methoxyphenyl)acetic acid
CID 120530355
2-(4-methoxyphenyl)-2-(1-phenylethylamino)acetic acid
CID 82344765

Frequently Asked Questions

What is the IUPAC name of 2-(2-hydroxyethylamino)-2-(4-methoxyphenyl)acetic acid?
The IUPAC name of 2-(2-hydroxyethylamino)-2-(4-methoxyphenyl)acetic acid (CID 82027139) is 2-(2-hydroxyethylamino)-2-(4-methoxyphenyl)acetic acid.
What is the SMILES notation for 2-(2-hydroxyethylamino)-2-(4-methoxyphenyl)acetic acid?
The canonical SMILES for 2-(2-hydroxyethylamino)-2-(4-methoxyphenyl)acetic acid is COc1ccc(C(NCCO)C(=O)O)cc1.
What is the InChIKey of 2-(2-hydroxyethylamino)-2-(4-methoxyphenyl)acetic acid?
The InChIKey is WVCAYFBJXLGUJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO4/c1-16-9-4-2-8(3-5-9)10(11(14)15)12-6-7-13/h2-5,10,12-13H,6-7H2,1H3,(H,14,15).
What are the key properties of 2-(2-hydroxyethylamino)-2-(4-methoxyphenyl)acetic acid?
2-(2-hydroxyethylamino)-2-(4-methoxyphenyl)acetic acid has a molecular weight of 225.24 g/mol, XLogP of 0.40, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-hydroxyethylamino)-2-(4-methoxyphenyl)acetic acid is sourced from PubChem (CID 82027139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).