3,4-dihydroxy-4-(2-hydroxy-4-methylphenyl)butanamide

C11H15NO4 — CID 171898801

IUPAC3,4-dihydroxy-4-(2-hydroxy-4-methylphenyl)butanamide
SMILESCc1ccc(C(O)C(O)CC(N)=O)c(O)c1
InChIInChI=1S/C11H15NO4/c1-6-2-3-7(8(13)4-6)11(16)9(14)5-10(12)15/h2-4,9,11,13-14,16H,5H2,1H3,(H2,12,15)
InChIKeyUGFNOEWMNZOWRZ-UHFFFAOYSA-N
MW225.24 g/mol
LogP-0.03
Rot. Bonds4

About 3,4-dihydroxy-4-(2-hydroxy-4-methylphenyl)butanamide

3,4-dihydroxy-4-(2-hydroxy-4-methylphenyl)butanamide (PubChem CID 171898801) has the molecular formula C11H15NO4 and a molecular weight of 225.24 g/mol. Its IUPAC name is 3,4-dihydroxy-4-(2-hydroxy-4-methylphenyl)butanamide.

Molecular Properties

Compound Name3,4-dihydroxy-4-(2-hydroxy-4-methylphenyl)butanamide
PubChem CID171898801
Molecular FormulaC11H15NO4
Molecular Weight225.24 g/mol
Exact Mass225.10
IUPAC Name3,4-dihydroxy-4-(2-hydroxy-4-methylphenyl)butanamide
SMILESCc1ccc(C(O)C(O)CC(N)=O)c(O)c1
InChIInChI=1S/C11H15NO4/c1-6-2-3-7(8(13)4-6)11(16)9(14)5-10(12)15/h2-4,9,11,13-14,16H,5H2,1H3,(H2,12,15)
InChIKeyUGFNOEWMNZOWRZ-UHFFFAOYSA-N
XLogP-0.03
TPSA103.78 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.24
LogP ≤ 5-0.03
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-amino-1,2-dihydroxy-4-oxobutyl)-5-methylbenzoic acid
CID 171899487
methyl 3,4-dihydroxy-4-(2-hydroxy-4-methylphenyl)butanoate
CID 171895218
4-(2-amino-5-methylphenyl)-3,4-dihydroxybutanamide
CID 171898906
4-(2-formyl-4-methylphenyl)-3,4-dihydroxybutanamide
CID 171899102
3-amino-1-(2-hydroxy-4-methylphenyl)propane-1,2-diol
CID 170827678
3,4-dihydroxy-4-(4-hydroxy-2-methylphenyl)butanamide
CID 171898796
4-(4-amino-2,3-dimethylphenyl)-3,4-dihydroxybutanamide
CID 171899234
4-(4,5-diamino-2-methylphenyl)-3,4-dihydroxybutanamide
CID 171899146
4-(5-fluoro-2-hydroxyphenyl)-3,4-dihydroxybutanamide
CID 171898776
4-(2-amino-3,5-dimethylphenyl)-3,4-dihydroxybutanamide
CID 171899222
4-(2,3-dimethylphenyl)-3,4-dihydroxybutanamide
CID 171898729
4-(5-chloro-2-methylphenyl)-3,4-dihydroxybutanamide
CID 171898698

Frequently Asked Questions

What is the IUPAC name of 3,4-dihydroxy-4-(2-hydroxy-4-methylphenyl)butanamide?
The IUPAC name of 3,4-dihydroxy-4-(2-hydroxy-4-methylphenyl)butanamide (CID 171898801) is 3,4-dihydroxy-4-(2-hydroxy-4-methylphenyl)butanamide.
What is the SMILES notation for 3,4-dihydroxy-4-(2-hydroxy-4-methylphenyl)butanamide?
The canonical SMILES for 3,4-dihydroxy-4-(2-hydroxy-4-methylphenyl)butanamide is Cc1ccc(C(O)C(O)CC(N)=O)c(O)c1.
What is the InChIKey of 3,4-dihydroxy-4-(2-hydroxy-4-methylphenyl)butanamide?
The InChIKey is UGFNOEWMNZOWRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO4/c1-6-2-3-7(8(13)4-6)11(16)9(14)5-10(12)15/h2-4,9,11,13-14,16H,5H2,1H3,(H2,12,15).
What are the key properties of 3,4-dihydroxy-4-(2-hydroxy-4-methylphenyl)butanamide?
3,4-dihydroxy-4-(2-hydroxy-4-methylphenyl)butanamide has a molecular weight of 225.24 g/mol, XLogP of -0.03, 4 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dihydroxy-4-(2-hydroxy-4-methylphenyl)butanamide is sourced from PubChem (CID 171898801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).