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

C10H13NO5 — CID 171868027

IUPAC2,3-dihydroxy-3-(2-hydroxy-4-methoxyphenyl)propanamide
SMILESCOc1ccc(C(O)C(O)C(N)=O)c(O)c1
InChIInChI=1S/C10H13NO5/c1-16-5-2-3-6(7(12)4-5)8(13)9(14)10(11)15/h2-4,8-9,12-14H,1H3,(H2,11,15)
InChIKeyJRTWVFMMJIGPPP-UHFFFAOYSA-N
MW227.22 g/mol
LogP-0.72
Rot. Bonds4

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

2,3-dihydroxy-3-(2-hydroxy-4-methoxyphenyl)propanamide (PubChem CID 171868027) has the molecular formula C10H13NO5 and a molecular weight of 227.22 g/mol. Its IUPAC name is 2,3-dihydroxy-3-(2-hydroxy-4-methoxyphenyl)propanamide.

Molecular Properties

Compound Name2,3-dihydroxy-3-(2-hydroxy-4-methoxyphenyl)propanamide
PubChem CID171868027
Molecular FormulaC10H13NO5
Molecular Weight227.22 g/mol
Exact Mass227.08
IUPAC Name2,3-dihydroxy-3-(2-hydroxy-4-methoxyphenyl)propanamide
SMILESCOc1ccc(C(O)C(O)C(N)=O)c(O)c1
InChIInChI=1S/C10H13NO5/c1-16-5-2-3-6(7(12)4-5)8(13)9(14)10(11)15/h2-4,8-9,12-14H,1H3,(H2,11,15)
InChIKeyJRTWVFMMJIGPPP-UHFFFAOYSA-N
XLogP-0.72
TPSA113.01 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.22
LogP ≤ 5-0.72
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Related Compounds

3-(2-amino-4-methoxyphenyl)-2,3-dihydroxypropanamide
CID 171868281
3-(2-bromo-5-methoxyphenyl)-2,3-dihydroxypropanamide
CID 171869396
3-(4-fluoro-2-hydroxyphenyl)-2,3-dihydroxypropanamide
CID 171867767
3-amino-3-(2-hydroxy-4-methoxyphenyl)propanamide
CID 170875667
2,4-bis(2-hydroxy-4-methoxyphenyl)pentan-3-one
CID 151498938
3-[4-(diethylamino)-2-hydroxyphenyl]-2,3-dihydroxypropanamide
CID 171869443
methyl 2,3-dihydroxy-3-[4-methoxy-2-(trifluoromethyl)phenyl]propanoate
CID 171865335
2-[1-(2-hydroxy-4-methoxyphenyl)ethylamino]acetamide
CID 43200366
2,3-dihydroxy-3-(4-methoxy-2-methylphenyl)propanoic acid
CID 170823897
2-(3-amino-1-hydroxypropyl)-5-methoxyphenol
CID 82606953
3-(2-chloro-4-methoxyphenyl)-2,3-dihydroxypropanoic acid
CID 170823843
2-[(1S)-1-amino-2,2-dimethylpropyl]-5-methoxyphenol;hydrochloride
CID 171239815

Frequently Asked Questions

What is the IUPAC name of 2,3-dihydroxy-3-(2-hydroxy-4-methoxyphenyl)propanamide?
The IUPAC name of 2,3-dihydroxy-3-(2-hydroxy-4-methoxyphenyl)propanamide (CID 171868027) is 2,3-dihydroxy-3-(2-hydroxy-4-methoxyphenyl)propanamide.
What is the SMILES notation for 2,3-dihydroxy-3-(2-hydroxy-4-methoxyphenyl)propanamide?
The canonical SMILES for 2,3-dihydroxy-3-(2-hydroxy-4-methoxyphenyl)propanamide is COc1ccc(C(O)C(O)C(N)=O)c(O)c1.
What is the InChIKey of 2,3-dihydroxy-3-(2-hydroxy-4-methoxyphenyl)propanamide?
The InChIKey is JRTWVFMMJIGPPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13NO5/c1-16-5-2-3-6(7(12)4-5)8(13)9(14)10(11)15/h2-4,8-9,12-14H,1H3,(H2,11,15).
What are the key properties of 2,3-dihydroxy-3-(2-hydroxy-4-methoxyphenyl)propanamide?
2,3-dihydroxy-3-(2-hydroxy-4-methoxyphenyl)propanamide has a molecular weight of 227.22 g/mol, XLogP of -0.72, 4 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dihydroxy-3-(2-hydroxy-4-methoxyphenyl)propanamide is sourced from PubChem (CID 171868027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).