4-(4-amino-2-methoxyphenyl)-3,4-dihydroxybutanamide

C11H16N2O4 — CID 171899304

IUPAC4-(4-amino-2-methoxyphenyl)-3,4-dihydroxybutanamide
SMILESCOc1cc(N)ccc1C(O)C(O)CC(N)=O
InChIInChI=1S/C11H16N2O4/c1-17-9-4-6(12)2-3-7(9)11(16)8(14)5-10(13)15/h2-4,8,11,14,16H,5,12H2,1H3,(H2,13,15)
InChIKeyZFOGXTAKVRQSTJ-UHFFFAOYSA-N
MW240.26 g/mol
LogP-0.45
Rot. Bonds5

About 4-(4-amino-2-methoxyphenyl)-3,4-dihydroxybutanamide

4-(4-amino-2-methoxyphenyl)-3,4-dihydroxybutanamide (PubChem CID 171899304) has the molecular formula C11H16N2O4 and a molecular weight of 240.26 g/mol. Its IUPAC name is 4-(4-amino-2-methoxyphenyl)-3,4-dihydroxybutanamide.

Molecular Properties

Compound Name4-(4-amino-2-methoxyphenyl)-3,4-dihydroxybutanamide
PubChem CID171899304
Molecular FormulaC11H16N2O4
Molecular Weight240.26 g/mol
Exact Mass240.11
IUPAC Name4-(4-amino-2-methoxyphenyl)-3,4-dihydroxybutanamide
SMILESCOc1cc(N)ccc1C(O)C(O)CC(N)=O
InChIInChI=1S/C11H16N2O4/c1-17-9-4-6(12)2-3-7(9)11(16)8(14)5-10(13)15/h2-4,8,11,14,16H,5,12H2,1H3,(H2,13,15)
InChIKeyZFOGXTAKVRQSTJ-UHFFFAOYSA-N
XLogP-0.45
TPSA118.80 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.26
LogP ≤ 5-0.45
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

methyl 4-(5-amino-2-methoxyphenyl)-3,4-dihydroxybutanoate
CID 171895718
3,4-dihydroxy-4-(2-hydroxy-3-methoxyphenyl)butanamide
CID 171899043
methyl 3-(4-amino-1,2-dihydroxy-4-oxobutyl)-4-methoxybenzoate
CID 171900062
2-(4-amino-1,2-dihydroxy-4-oxobutyl)-5-methoxybenzamide
CID 171899846
2-(4-amino-1,2-dihydroxy-4-oxobutyl)-5-methoxybenzoic acid
CID 171899788
2-(4-amino-2-methoxyphenyl)propanoic acid
CID 141079881
3,4-dihydroxy-4-(4-methoxy-3-methylphenyl)butanamide
CID 171899098
4-(4-amino-2,3-dimethylphenyl)-3,4-dihydroxybutanamide
CID 171899234
4-(4-amino-1,2-dihydroxy-4-oxobutyl)-3,5-dimethoxybenzoic acid
CID 171900112
5-(4-amino-1,2-dihydroxy-4-oxobutyl)-2-methoxybenzoic acid
CID 171899771
4-(4,5-diamino-2-methylphenyl)-3,4-dihydroxybutanamide
CID 171899146
1-amino-1-(4-amino-2-methoxyphenyl)propan-2-ol
CID 130000790

Frequently Asked Questions

What is the IUPAC name of 4-(4-amino-2-methoxyphenyl)-3,4-dihydroxybutanamide?
The IUPAC name of 4-(4-amino-2-methoxyphenyl)-3,4-dihydroxybutanamide (CID 171899304) is 4-(4-amino-2-methoxyphenyl)-3,4-dihydroxybutanamide.
What is the SMILES notation for 4-(4-amino-2-methoxyphenyl)-3,4-dihydroxybutanamide?
The canonical SMILES for 4-(4-amino-2-methoxyphenyl)-3,4-dihydroxybutanamide is COc1cc(N)ccc1C(O)C(O)CC(N)=O.
What is the InChIKey of 4-(4-amino-2-methoxyphenyl)-3,4-dihydroxybutanamide?
The InChIKey is ZFOGXTAKVRQSTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O4/c1-17-9-4-6(12)2-3-7(9)11(16)8(14)5-10(13)15/h2-4,8,11,14,16H,5,12H2,1H3,(H2,13,15).
What are the key properties of 4-(4-amino-2-methoxyphenyl)-3,4-dihydroxybutanamide?
4-(4-amino-2-methoxyphenyl)-3,4-dihydroxybutanamide has a molecular weight of 240.26 g/mol, XLogP of -0.45, 5 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-amino-2-methoxyphenyl)-3,4-dihydroxybutanamide is sourced from PubChem (CID 171899304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).