2-(4-aminophenyl)-3-(3-methoxy-4-propan-2-yloxyphenyl)propanoic acid

C19H23NO4 — CID 83952018

IUPAC2-(4-aminophenyl)-3-(3-methoxy-4-propan-2-yloxyphenyl)propanoic acid
SMILESCOc1cc(CC(C(=O)O)c2ccc(N)cc2)ccc1OC(C)C
InChIInChI=1S/C19H23NO4/c1-12(2)24-17-9-4-13(11-18(17)23-3)10-16(19(21)22)14-5-7-15(20)8-6-14/h4-9,11-12,16H,10,20H2,1-3H3,(H,21,22)
InChIKeyWPJNHBBEMWJGDQ-UHFFFAOYSA-N
MW329.40 g/mol
LogP3.48
Rot. Bonds7

About 2-(4-aminophenyl)-3-(3-methoxy-4-propan-2-yloxyphenyl)propanoic acid

2-(4-aminophenyl)-3-(3-methoxy-4-propan-2-yloxyphenyl)propanoic acid (PubChem CID 83952018) has the molecular formula C19H23NO4 and a molecular weight of 329.40 g/mol. Its IUPAC name is 2-(4-aminophenyl)-3-(3-methoxy-4-propan-2-yloxyphenyl)propanoic acid.

Molecular Properties

Compound Name2-(4-aminophenyl)-3-(3-methoxy-4-propan-2-yloxyphenyl)propanoic acid
PubChem CID83952018
Molecular FormulaC19H23NO4
Molecular Weight329.40 g/mol
Exact Mass329.16
IUPAC Name2-(4-aminophenyl)-3-(3-methoxy-4-propan-2-yloxyphenyl)propanoic acid
SMILESCOc1cc(CC(C(=O)O)c2ccc(N)cc2)ccc1OC(C)C
InChIInChI=1S/C19H23NO4/c1-12(2)24-17-9-4-13(11-18(17)23-3)10-16(19(21)22)14-5-7-15(20)8-6-14/h4-9,11-12,16H,10,20H2,1-3H3,(H,21,22)
InChIKeyWPJNHBBEMWJGDQ-UHFFFAOYSA-N
XLogP3.48
TPSA81.78 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.40
LogP ≤ 53.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-(4-aminophenyl)-3-(4-methoxy-3-propoxyphenyl)propanoic acid
CID 83953929
2-(4-aminophenyl)-3-(3,4,5-trimethoxyphenyl)propanoic acid
CID 83955719
2-(4-bromophenyl)-3-(3,4-dimethoxyphenyl)propanoic acid
CID 131887523
3-(3,4-dimethoxyphenyl)-2-(4-ethoxyphenyl)propanoic acid
CID 82140602
2-(4-ethylphenyl)-3-(4-hydroxy-3-methoxyphenyl)propanoic acid
CID 83955211
3-(4-ethoxy-3-methoxyphenyl)-2-(4-hydroxyphenyl)propanoic acid
CID 83951979
2-(4-methoxy-3-methylphenyl)-3-(4-propan-2-yloxyphenyl)propanoic acid
CID 83951802
3-(3-ethoxy-4-methoxyphenyl)-2-(4-ethylphenyl)propanoic acid
CID 83951268
methyl 2-[(3-methoxy-4-propan-2-yloxyphenyl)methyl]-3-oxobutanoate
CID 10803724
2-(4-methoxy-3-methylphenyl)-3-(3-propan-2-yloxyphenyl)propanoic acid
CID 83952179
2-chloro-3-(3,4-dimethoxyphenyl)propanoic acid
CID 83969809
[4-[1-(4-aminophenyl)ethoxy]-3-methoxyphenyl]methanol
CID 107742769

Frequently Asked Questions

What is the IUPAC name of 2-(4-aminophenyl)-3-(3-methoxy-4-propan-2-yloxyphenyl)propanoic acid?
The IUPAC name of 2-(4-aminophenyl)-3-(3-methoxy-4-propan-2-yloxyphenyl)propanoic acid (CID 83952018) is 2-(4-aminophenyl)-3-(3-methoxy-4-propan-2-yloxyphenyl)propanoic acid.
What is the SMILES notation for 2-(4-aminophenyl)-3-(3-methoxy-4-propan-2-yloxyphenyl)propanoic acid?
The canonical SMILES for 2-(4-aminophenyl)-3-(3-methoxy-4-propan-2-yloxyphenyl)propanoic acid is COc1cc(CC(C(=O)O)c2ccc(N)cc2)ccc1OC(C)C.
What is the InChIKey of 2-(4-aminophenyl)-3-(3-methoxy-4-propan-2-yloxyphenyl)propanoic acid?
The InChIKey is WPJNHBBEMWJGDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23NO4/c1-12(2)24-17-9-4-13(11-18(17)23-3)10-16(19(21)22)14-5-7-15(20)8-6-14/h4-9,11-12,16H,10,20H2,1-3H3,(H,21,22).
What are the key properties of 2-(4-aminophenyl)-3-(3-methoxy-4-propan-2-yloxyphenyl)propanoic acid?
2-(4-aminophenyl)-3-(3-methoxy-4-propan-2-yloxyphenyl)propanoic acid has a molecular weight of 329.40 g/mol, XLogP of 3.48, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-aminophenyl)-3-(3-methoxy-4-propan-2-yloxyphenyl)propanoic acid is sourced from PubChem (CID 83952018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).