4-(4-acetamidophenyl)-3-(2-methoxyethylamino)butanoic acid

C15H22N2O4 — CID 82350789

IUPAC4-(4-acetamidophenyl)-3-(2-methoxyethylamino)butanoic acid
SMILESCOCCNC(CC(=O)O)Cc1ccc(NC(C)=O)cc1
InChIInChI=1S/C15H22N2O4/c1-11(18)17-13-5-3-12(4-6-13)9-14(10-15(19)20)16-7-8-21-2/h3-6,14,16H,7-10H2,1-2H3,(H,17,18)(H,19,20)
InChIKeyUKDQOOQCCTUYLS-UHFFFAOYSA-N
MW294.35 g/mol
LogP1.27
Rot. Bonds9

About 4-(4-acetamidophenyl)-3-(2-methoxyethylamino)butanoic acid

4-(4-acetamidophenyl)-3-(2-methoxyethylamino)butanoic acid (PubChem CID 82350789) has the molecular formula C15H22N2O4 and a molecular weight of 294.35 g/mol. Its IUPAC name is 4-(4-acetamidophenyl)-3-(2-methoxyethylamino)butanoic acid.

Molecular Properties

Compound Name4-(4-acetamidophenyl)-3-(2-methoxyethylamino)butanoic acid
PubChem CID82350789
Molecular FormulaC15H22N2O4
Molecular Weight294.35 g/mol
Exact Mass294.16
IUPAC Name4-(4-acetamidophenyl)-3-(2-methoxyethylamino)butanoic acid
SMILESCOCCNC(CC(=O)O)Cc1ccc(NC(C)=O)cc1
InChIInChI=1S/C15H22N2O4/c1-11(18)17-13-5-3-12(4-6-13)9-14(10-15(19)20)16-7-8-21-2/h3-6,14,16H,7-10H2,1-2H3,(H,17,18)(H,19,20)
InChIKeyUKDQOOQCCTUYLS-UHFFFAOYSA-N
XLogP1.27
TPSA87.66 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.35
LogP ≤ 51.27
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

4-(4-acetamidophenyl)-3-(ethylamino)butanoic acid
CID 82350787
methyl 3-(2-methoxyethylamino)-4-(4-propylphenyl)butanoate
CID 82351588
3-(2-hydroxyethylamino)-4-(4-methoxyphenyl)butanoic acid
CID 82350647
4-(4-acetamidophenyl)-3-aminobutanoic acid
CID 82350791
4-(4-acetamidophenyl)-3-bromobutanoic acid
CID 82351983
(2S)-N-(2-methoxyethyl)-1-phenylbutan-2-amine
CID 97357815
4-(4-methylphenyl)-3-(pentylamino)butanoic acid
CID 82350428
4-(2-methoxy-3,5-dimethylphenyl)-3-(2-methoxyethylamino)butanoic acid
CID 82350914
N-[4-[(2-methoxyethoxyamino)methyl]phenyl]acetamide
CID 82711615
3,3-bis(4-acetamidophenyl)propanoic acid
CID 20632812
4-(4-ethylphenyl)-3-(2-methoxyethylamino)-4-oxobutanoic acid
CID 82322357
4-(4-chlorophenyl)-3-(ethylamino)butanoic acid
CID 82350545

Frequently Asked Questions

What is the IUPAC name of 4-(4-acetamidophenyl)-3-(2-methoxyethylamino)butanoic acid?
The IUPAC name of 4-(4-acetamidophenyl)-3-(2-methoxyethylamino)butanoic acid (CID 82350789) is 4-(4-acetamidophenyl)-3-(2-methoxyethylamino)butanoic acid.
What is the SMILES notation for 4-(4-acetamidophenyl)-3-(2-methoxyethylamino)butanoic acid?
The canonical SMILES for 4-(4-acetamidophenyl)-3-(2-methoxyethylamino)butanoic acid is COCCNC(CC(=O)O)Cc1ccc(NC(C)=O)cc1.
What is the InChIKey of 4-(4-acetamidophenyl)-3-(2-methoxyethylamino)butanoic acid?
The InChIKey is UKDQOOQCCTUYLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O4/c1-11(18)17-13-5-3-12(4-6-13)9-14(10-15(19)20)16-7-8-21-2/h3-6,14,16H,7-10H2,1-2H3,(H,17,18)(H,19,20).
What are the key properties of 4-(4-acetamidophenyl)-3-(2-methoxyethylamino)butanoic acid?
4-(4-acetamidophenyl)-3-(2-methoxyethylamino)butanoic acid has a molecular weight of 294.35 g/mol, XLogP of 1.27, 9 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-acetamidophenyl)-3-(2-methoxyethylamino)butanoic acid is sourced from PubChem (CID 82350789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).