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

C11H15NO4 — CID 171898796

IUPAC3,4-dihydroxy-4-(4-hydroxy-2-methylphenyl)butanamide
SMILESCc1cc(O)ccc1C(O)C(O)CC(N)=O
InChIInChI=1S/C11H15NO4/c1-6-4-7(13)2-3-8(6)11(16)9(14)5-10(12)15/h2-4,9,11,13-14,16H,5H2,1H3,(H2,12,15)
InChIKeySHEPQVDNWOJIEA-UHFFFAOYSA-N
MW225.24 g/mol
LogP-0.03
Rot. Bonds4

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

3,4-dihydroxy-4-(4-hydroxy-2-methylphenyl)butanamide (PubChem CID 171898796) has the molecular formula C11H15NO4 and a molecular weight of 225.24 g/mol. Its IUPAC name is 3,4-dihydroxy-4-(4-hydroxy-2-methylphenyl)butanamide.

Molecular Properties

Compound Name3,4-dihydroxy-4-(4-hydroxy-2-methylphenyl)butanamide
PubChem CID171898796
Molecular FormulaC11H15NO4
Molecular Weight225.24 g/mol
Exact Mass225.10
IUPAC Name3,4-dihydroxy-4-(4-hydroxy-2-methylphenyl)butanamide
SMILESCc1cc(O)ccc1C(O)C(O)CC(N)=O
InChIInChI=1S/C11H15NO4/c1-6-4-7(13)2-3-8(6)11(16)9(14)5-10(12)15/h2-4,9,11,13-14,16H,5H2,1H3,(H2,12,15)
InChIKeySHEPQVDNWOJIEA-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

3,4-dihydroxy-4-(4-hydroxy-2-methylphenyl)butanoic acid
CID 171877297
4-(4,5-diamino-2-methylphenyl)-3,4-dihydroxybutanamide
CID 171899146
3,4-dihydroxy-4-(2-hydroxy-4-methylphenyl)butanamide
CID 171898801
4-(5-chloro-2-methylphenyl)-3,4-dihydroxybutanamide
CID 171898698
4-(2,3-dimethylphenyl)-3,4-dihydroxybutanamide
CID 171898729
2-(4-amino-1,2-dihydroxy-4-oxobutyl)-5-methylbenzoic acid
CID 171899487
4-(4-amino-2,3-dimethylphenyl)-3,4-dihydroxybutanamide
CID 171899234
4-(2-amino-3,5-dimethylphenyl)-3,4-dihydroxybutanamide
CID 171899222
3,4-dihydroxy-4-(6-hydroxynaphthalen-2-yl)butanamide
CID 171899918
4-(2-amino-5-methylphenyl)-3,4-dihydroxybutanamide
CID 171898906
4-(2-amino-3-methylphenyl)-3,4-dihydroxybutanamide
CID 171898907
4-(2-formyl-4-methylphenyl)-3,4-dihydroxybutanamide
CID 171899102

Frequently Asked Questions

What is the IUPAC name of 3,4-dihydroxy-4-(4-hydroxy-2-methylphenyl)butanamide?
The IUPAC name of 3,4-dihydroxy-4-(4-hydroxy-2-methylphenyl)butanamide (CID 171898796) is 3,4-dihydroxy-4-(4-hydroxy-2-methylphenyl)butanamide.
What is the SMILES notation for 3,4-dihydroxy-4-(4-hydroxy-2-methylphenyl)butanamide?
The canonical SMILES for 3,4-dihydroxy-4-(4-hydroxy-2-methylphenyl)butanamide is Cc1cc(O)ccc1C(O)C(O)CC(N)=O.
What is the InChIKey of 3,4-dihydroxy-4-(4-hydroxy-2-methylphenyl)butanamide?
The InChIKey is SHEPQVDNWOJIEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO4/c1-6-4-7(13)2-3-8(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-(4-hydroxy-2-methylphenyl)butanamide?
3,4-dihydroxy-4-(4-hydroxy-2-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-(4-hydroxy-2-methylphenyl)butanamide is sourced from PubChem (CID 171898796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).