2-(4-hydroxyphenyl)-2-(2-methoxyethylamino)propanoic acid

C12H17NO4 — CID 62540156

IUPAC2-(4-hydroxyphenyl)-2-(2-methoxyethylamino)propanoic acid
SMILESCOCCNC(C)(C(=O)O)c1ccc(O)cc1
InChIInChI=1S/C12H17NO4/c1-12(11(15)16,13-7-8-17-2)9-3-5-10(14)6-4-9/h3-6,13-14H,7-8H2,1-2H3,(H,15,16)
InChIKeyDDVNTWZIUSOBFA-UHFFFAOYSA-N
MW239.27 g/mol
LogP0.93
Rot. Bonds6

About 2-(4-hydroxyphenyl)-2-(2-methoxyethylamino)propanoic acid

2-(4-hydroxyphenyl)-2-(2-methoxyethylamino)propanoic acid (PubChem CID 62540156) has the molecular formula C12H17NO4 and a molecular weight of 239.27 g/mol. Its IUPAC name is 2-(4-hydroxyphenyl)-2-(2-methoxyethylamino)propanoic acid.

Molecular Properties

Compound Name2-(4-hydroxyphenyl)-2-(2-methoxyethylamino)propanoic acid
PubChem CID62540156
Molecular FormulaC12H17NO4
Molecular Weight239.27 g/mol
Exact Mass239.12
IUPAC Name2-(4-hydroxyphenyl)-2-(2-methoxyethylamino)propanoic acid
SMILESCOCCNC(C)(C(=O)O)c1ccc(O)cc1
InChIInChI=1S/C12H17NO4/c1-12(11(15)16,13-7-8-17-2)9-3-5-10(14)6-4-9/h3-6,13-14H,7-8H2,1-2H3,(H,15,16)
InChIKeyDDVNTWZIUSOBFA-UHFFFAOYSA-N
XLogP0.93
TPSA78.79 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.27
LogP ≤ 50.93
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-(4-ethylphenyl)-2-(2-methoxyethylamino)propanoic acid
CID 55070744
2-(3-chloro-4-fluorophenyl)-2-(2-methoxyethylamino)propanoic acid
CID 61340503
methyl 2-(2-methoxyethylamino)-2-phenylpropanoate
CID 62541706
2-(3-fluorophenyl)-2-(2-methoxyethylamino)propanoic acid
CID 55135242
4-(4-hydroxyphenyl)-2-(2-methoxyethylamino)-2-methylbutanoic acid
CID 55084268
2-(4-chlorophenyl)-2-(2-methoxyethylamino)propanamide
CID 62540328
2-(4-hydroxyphenyl)-2-(methylamino)propanoic acid
CID 43753640
2-(4-methoxyphenyl)-2-(propylamino)propanoic acid
CID 43754043
2-(2-aminoethylamino)-2-(4-methoxyphenyl)propanoic acid
CID 114990603
2-(2-methoxyethylamino)-2-(4-methylsulfonylphenyl)propanamide
CID 62541894
2-(4-hydroxyphenyl)-2-(propan-2-ylamino)propanoic acid
CID 43754261
ethyl 2-(2-methoxyethylamino)-2-(4-propan-2-ylphenyl)propanoate
CID 62541881

Frequently Asked Questions

What is the IUPAC name of 2-(4-hydroxyphenyl)-2-(2-methoxyethylamino)propanoic acid?
The IUPAC name of 2-(4-hydroxyphenyl)-2-(2-methoxyethylamino)propanoic acid (CID 62540156) is 2-(4-hydroxyphenyl)-2-(2-methoxyethylamino)propanoic acid.
What is the SMILES notation for 2-(4-hydroxyphenyl)-2-(2-methoxyethylamino)propanoic acid?
The canonical SMILES for 2-(4-hydroxyphenyl)-2-(2-methoxyethylamino)propanoic acid is COCCNC(C)(C(=O)O)c1ccc(O)cc1.
What is the InChIKey of 2-(4-hydroxyphenyl)-2-(2-methoxyethylamino)propanoic acid?
The InChIKey is DDVNTWZIUSOBFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO4/c1-12(11(15)16,13-7-8-17-2)9-3-5-10(14)6-4-9/h3-6,13-14H,7-8H2,1-2H3,(H,15,16).
What are the key properties of 2-(4-hydroxyphenyl)-2-(2-methoxyethylamino)propanoic acid?
2-(4-hydroxyphenyl)-2-(2-methoxyethylamino)propanoic acid has a molecular weight of 239.27 g/mol, XLogP of 0.93, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-hydroxyphenyl)-2-(2-methoxyethylamino)propanoic acid is sourced from PubChem (CID 62540156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).