3-(2-hydroxyethylamino)-4-(4-methoxy-2,5-dimethylphenyl)butanoic acid

C15H23NO4 — CID 82351155

IUPAC3-(2-hydroxyethylamino)-4-(4-methoxy-2,5-dimethylphenyl)butanoic acid
SMILESCOc1cc(C)c(CC(CC(=O)O)NCCO)cc1C
InChIInChI=1S/C15H23NO4/c1-10-7-14(20-3)11(2)6-12(10)8-13(9-15(18)19)16-4-5-17/h6-7,13,16-17H,4-5,8-9H2,1-3H3,(H,18,19)
InChIKeyHUAPDYWLVJEZPY-UHFFFAOYSA-N
MW281.35 g/mol
LogP1.28
Rot. Bonds8

About 3-(2-hydroxyethylamino)-4-(4-methoxy-2,5-dimethylphenyl)butanoic acid

3-(2-hydroxyethylamino)-4-(4-methoxy-2,5-dimethylphenyl)butanoic acid (PubChem CID 82351155) has the molecular formula C15H23NO4 and a molecular weight of 281.35 g/mol. Its IUPAC name is 3-(2-hydroxyethylamino)-4-(4-methoxy-2,5-dimethylphenyl)butanoic acid.

Molecular Properties

Compound Name3-(2-hydroxyethylamino)-4-(4-methoxy-2,5-dimethylphenyl)butanoic acid
PubChem CID82351155
Molecular FormulaC15H23NO4
Molecular Weight281.35 g/mol
Exact Mass281.16
IUPAC Name3-(2-hydroxyethylamino)-4-(4-methoxy-2,5-dimethylphenyl)butanoic acid
SMILESCOc1cc(C)c(CC(CC(=O)O)NCCO)cc1C
InChIInChI=1S/C15H23NO4/c1-10-7-14(20-3)11(2)6-12(10)8-13(9-15(18)19)16-4-5-17/h6-7,13,16-17H,4-5,8-9H2,1-3H3,(H,18,19)
InChIKeyHUAPDYWLVJEZPY-UHFFFAOYSA-N
XLogP1.28
TPSA78.79 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.35
LogP ≤ 51.28
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

3-(ethylamino)-4-(4-methoxy-2,5-dimethylphenyl)butanoic acid
CID 82351161
3-(2-hydroxyethylamino)-4-(4-methoxyphenyl)butanoic acid
CID 82350647
4-[(4-methoxy-2,5-dimethylphenyl)methylamino]-3-methylbutanoic acid
CID 115219916
4-(2-methoxy-3,5-dimethylphenyl)-3-(2-methoxyethylamino)butanoic acid
CID 82350914
3-[(4-methoxy-2,5-dimethylphenyl)methylamino]propanoic acid
CID 98784083
2-amino-3-(4-methoxy-2,5-dimethylphenyl)-N-methylpropanamide
CID 116850512
3-hydroxy-3-(4-methoxy-2,5-dimethylphenyl)propanoic acid
CID 82366763
4-(4-methoxy-2-methyl-5-propan-2-ylphenyl)-3-methylbutanoic acid
CID 116926751
2-[2-(4-methoxy-2,5-dimethylphenyl)ethylamino]propan-1-ol
CID 112513281
4-(4-methoxy-2,5-dimethylphenyl)-4-oxo-3-(propylamino)butanoic acid
CID 82350041
methyl 4-(2,5-dimethylphenyl)-3-(3-hydroxypropylamino)butanoate
CID 82351628
4-(2,5-dimethylphenyl)-3-(2-methylpropylamino)butanoic acid
CID 82351058

Frequently Asked Questions

What is the IUPAC name of 3-(2-hydroxyethylamino)-4-(4-methoxy-2,5-dimethylphenyl)butanoic acid?
The IUPAC name of 3-(2-hydroxyethylamino)-4-(4-methoxy-2,5-dimethylphenyl)butanoic acid (CID 82351155) is 3-(2-hydroxyethylamino)-4-(4-methoxy-2,5-dimethylphenyl)butanoic acid.
What is the SMILES notation for 3-(2-hydroxyethylamino)-4-(4-methoxy-2,5-dimethylphenyl)butanoic acid?
The canonical SMILES for 3-(2-hydroxyethylamino)-4-(4-methoxy-2,5-dimethylphenyl)butanoic acid is COc1cc(C)c(CC(CC(=O)O)NCCO)cc1C.
What is the InChIKey of 3-(2-hydroxyethylamino)-4-(4-methoxy-2,5-dimethylphenyl)butanoic acid?
The InChIKey is HUAPDYWLVJEZPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO4/c1-10-7-14(20-3)11(2)6-12(10)8-13(9-15(18)19)16-4-5-17/h6-7,13,16-17H,4-5,8-9H2,1-3H3,(H,18,19).
What are the key properties of 3-(2-hydroxyethylamino)-4-(4-methoxy-2,5-dimethylphenyl)butanoic acid?
3-(2-hydroxyethylamino)-4-(4-methoxy-2,5-dimethylphenyl)butanoic acid has a molecular weight of 281.35 g/mol, XLogP of 1.28, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-hydroxyethylamino)-4-(4-methoxy-2,5-dimethylphenyl)butanoic acid is sourced from PubChem (CID 82351155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).