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

C11H15NO5 — CID 171899043

IUPAC3,4-dihydroxy-4-(2-hydroxy-3-methoxyphenyl)butanamide
SMILESCOc1cccc(C(O)C(O)CC(N)=O)c1O
InChIInChI=1S/C11H15NO5/c1-17-8-4-2-3-6(11(8)16)10(15)7(13)5-9(12)14/h2-4,7,10,13,15-16H,5H2,1H3,(H2,12,14)
InChIKeyJBCLCPKZDRGIGF-UHFFFAOYSA-N
MW241.24 g/mol
LogP-0.33
Rot. Bonds5

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

3,4-dihydroxy-4-(2-hydroxy-3-methoxyphenyl)butanamide (PubChem CID 171899043) has the molecular formula C11H15NO5 and a molecular weight of 241.24 g/mol. Its IUPAC name is 3,4-dihydroxy-4-(2-hydroxy-3-methoxyphenyl)butanamide.

Molecular Properties

Compound Name3,4-dihydroxy-4-(2-hydroxy-3-methoxyphenyl)butanamide
PubChem CID171899043
Molecular FormulaC11H15NO5
Molecular Weight241.24 g/mol
Exact Mass241.10
IUPAC Name3,4-dihydroxy-4-(2-hydroxy-3-methoxyphenyl)butanamide
SMILESCOc1cccc(C(O)C(O)CC(N)=O)c1O
InChIInChI=1S/C11H15NO5/c1-17-8-4-2-3-6(11(8)16)10(15)7(13)5-9(12)14/h2-4,7,10,13,15-16H,5H2,1H3,(H2,12,14)
InChIKeyJBCLCPKZDRGIGF-UHFFFAOYSA-N
XLogP-0.33
TPSA113.01 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.24
LogP ≤ 5-0.33
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Related Compounds

3-amino-3-(2-hydroxy-3-methoxyphenyl)propanamide
CID 170875664
ethyl 2,3-dihydroxy-3-(2-hydroxy-3-methoxyphenyl)propanoate
CID 171865973
methyl 3-(4-amino-1,2-dihydroxy-4-oxobutyl)-4-methoxybenzoate
CID 171900062
4-(4-amino-2-methoxyphenyl)-3,4-dihydroxybutanamide
CID 171899304
4-(2,3-dimethylphenyl)-3,4-dihydroxybutanamide
CID 171898729
2-(2-amino-1-hydroxyethyl)-6-methoxyphenol
CID 16768128
3-(2-methoxyphenyl)pentanediamide
CID 20546356
ethyl (3R)-3-amino-3-(2-hydroxy-3-methoxyphenyl)propanoate
CID 171212314
4-(2-amino-3-methylphenyl)-3,4-dihydroxybutanamide
CID 171898907
methyl (3S)-3-amino-3-(2-hydroxy-3-methoxyphenyl)propanoate;hydrochloride
CID 171243705
3,4-dihydroxy-4-naphthalen-1-ylbutanamide
CID 171899361
3,4-dihydroxy-4-(2-methylsulfonylphenyl)butanamide
CID 171899451

Frequently Asked Questions

What is the IUPAC name of 3,4-dihydroxy-4-(2-hydroxy-3-methoxyphenyl)butanamide?
The IUPAC name of 3,4-dihydroxy-4-(2-hydroxy-3-methoxyphenyl)butanamide (CID 171899043) is 3,4-dihydroxy-4-(2-hydroxy-3-methoxyphenyl)butanamide.
What is the SMILES notation for 3,4-dihydroxy-4-(2-hydroxy-3-methoxyphenyl)butanamide?
The canonical SMILES for 3,4-dihydroxy-4-(2-hydroxy-3-methoxyphenyl)butanamide is COc1cccc(C(O)C(O)CC(N)=O)c1O.
What is the InChIKey of 3,4-dihydroxy-4-(2-hydroxy-3-methoxyphenyl)butanamide?
The InChIKey is JBCLCPKZDRGIGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO5/c1-17-8-4-2-3-6(11(8)16)10(15)7(13)5-9(12)14/h2-4,7,10,13,15-16H,5H2,1H3,(H2,12,14).
What are the key properties of 3,4-dihydroxy-4-(2-hydroxy-3-methoxyphenyl)butanamide?
3,4-dihydroxy-4-(2-hydroxy-3-methoxyphenyl)butanamide has a molecular weight of 241.24 g/mol, XLogP of -0.33, 5 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dihydroxy-4-(2-hydroxy-3-methoxyphenyl)butanamide is sourced from PubChem (CID 171899043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).