2-[[2-(2,4-dimethoxyphenyl)acetyl]amino]-3-(4-hydroxyphenyl)propanoic acid

C19H21NO6 — CID 84568095

IUPAC2-[[2-(2,4-dimethoxyphenyl)acetyl]amino]-3-(4-hydroxyphenyl)propanoic acid
SMILESCOc1ccc(CC(=O)NC(Cc2ccc(O)cc2)C(=O)O)c(OC)c1
InChIInChI=1S/C19H21NO6/c1-25-15-8-5-13(17(11-15)26-2)10-18(22)20-16(19(23)24)9-12-3-6-14(21)7-4-12/h3-8,11,16,21H,9-10H2,1-2H3,(H,20,22)(H,23,24)
InChIKeyXRIQZPBIGQUUQL-UHFFFAOYSA-N
MW359.38 g/mol
LogP1.76
Rot. Bonds8

About 2-[[2-(2,4-dimethoxyphenyl)acetyl]amino]-3-(4-hydroxyphenyl)propanoic acid

2-[[2-(2,4-dimethoxyphenyl)acetyl]amino]-3-(4-hydroxyphenyl)propanoic acid (PubChem CID 84568095) has the molecular formula C19H21NO6 and a molecular weight of 359.38 g/mol. Its IUPAC name is 2-[[2-(2,4-dimethoxyphenyl)acetyl]amino]-3-(4-hydroxyphenyl)propanoic acid.

Molecular Properties

Compound Name2-[[2-(2,4-dimethoxyphenyl)acetyl]amino]-3-(4-hydroxyphenyl)propanoic acid
PubChem CID84568095
Molecular FormulaC19H21NO6
Molecular Weight359.38 g/mol
Exact Mass359.14
IUPAC Name2-[[2-(2,4-dimethoxyphenyl)acetyl]amino]-3-(4-hydroxyphenyl)propanoic acid
SMILESCOc1ccc(CC(=O)NC(Cc2ccc(O)cc2)C(=O)O)c(OC)c1
InChIInChI=1S/C19H21NO6/c1-25-15-8-5-13(17(11-15)26-2)10-18(22)20-16(19(23)24)9-12-3-6-14(21)7-4-12/h3-8,11,16,21H,9-10H2,1-2H3,(H,20,22)(H,23,24)
InChIKeyXRIQZPBIGQUUQL-UHFFFAOYSA-N
XLogP1.76
TPSA105.09 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.38
LogP ≤ 51.76
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

2-(2,4-dimethoxyphenyl)-N-(4-hydroxyphenyl)acetamide
CID 84554293
2-[[2-(3,5-dimethylphenyl)acetyl]amino]-3-(4-hydroxyphenyl)propanoic acid
CID 77250264
3-(4-hydroxyphenyl)-2-[[4-(2-methoxy-5-methylphenyl)-4-oxobutanoyl]amino]propanoic acid
CID 108796062
methyl 2-[(2,4-dimethoxyphenyl)methylcarbamoylamino]-3-phenylpropanoate
CID 5126515
(2R)-3-(4-hydroxyphenyl)-2-(4-methoxybutanoylamino)propanoic acid
CID 104904437
2-[4-[[2-(2,4-dimethoxyphenyl)acetyl]amino]phenyl]-N-propan-2-ylacetamide
CID 55610566
(2R)-2-[(2-chloroacetyl)amino]-3-(4-hydroxyphenyl)propanoic acid
CID 25021406
(2S)-3-(4-hydroxyphenyl)-2-[(2-propan-2-yloxyacetyl)amino]propanoic acid
CID 103940319
(2S)-2-[[4-[[2-(2,4-dimethoxyphenyl)acetyl]amino]benzoyl]amino]-3-[4-(4-heptoxybenzoyl)oxyphenyl]propanoic acid
CID 58545778
(2R)-3-(4-hydroxyphenyl)-2-(4-methylpentanoylamino)propanoic acid
CID 28777757
(2R)-3-(4-hydroxyphenyl)-2-[[2-(propan-2-ylamino)acetyl]amino]propanoic acid
CID 103870731
(2S)-2-[(3-amino-3-methylbutanoyl)amino]-3-(4-hydroxy-2-methoxyphenyl)propanoic acid
CID 57266066

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(2,4-dimethoxyphenyl)acetyl]amino]-3-(4-hydroxyphenyl)propanoic acid?
The IUPAC name of 2-[[2-(2,4-dimethoxyphenyl)acetyl]amino]-3-(4-hydroxyphenyl)propanoic acid (CID 84568095) is 2-[[2-(2,4-dimethoxyphenyl)acetyl]amino]-3-(4-hydroxyphenyl)propanoic acid.
What is the SMILES notation for 2-[[2-(2,4-dimethoxyphenyl)acetyl]amino]-3-(4-hydroxyphenyl)propanoic acid?
The canonical SMILES for 2-[[2-(2,4-dimethoxyphenyl)acetyl]amino]-3-(4-hydroxyphenyl)propanoic acid is COc1ccc(CC(=O)NC(Cc2ccc(O)cc2)C(=O)O)c(OC)c1.
What is the InChIKey of 2-[[2-(2,4-dimethoxyphenyl)acetyl]amino]-3-(4-hydroxyphenyl)propanoic acid?
The InChIKey is XRIQZPBIGQUUQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21NO6/c1-25-15-8-5-13(17(11-15)26-2)10-18(22)20-16(19(23)24)9-12-3-6-14(21)7-4-12/h3-8,11,16,21H,9-10H2,1-2H3,(H,20,22)(H,23,24).
What are the key properties of 2-[[2-(2,4-dimethoxyphenyl)acetyl]amino]-3-(4-hydroxyphenyl)propanoic acid?
2-[[2-(2,4-dimethoxyphenyl)acetyl]amino]-3-(4-hydroxyphenyl)propanoic acid has a molecular weight of 359.38 g/mol, XLogP of 1.76, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(2,4-dimethoxyphenyl)acetyl]amino]-3-(4-hydroxyphenyl)propanoic acid is sourced from PubChem (CID 84568095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).