2-hydroxy-3-[(2-hydroxy-4-methoxyphenyl)methylamino]propanamide

C11H16N2O4 — CID 106171414

IUPAC2-hydroxy-3-[(2-hydroxy-4-methoxyphenyl)methylamino]propanamide
SMILESCOc1ccc(CNCC(O)C(N)=O)c(O)c1
InChIInChI=1S/C11H16N2O4/c1-17-8-3-2-7(9(14)4-8)5-13-6-10(15)11(12)16/h2-4,10,13-15H,5-6H2,1H3,(H2,12,16)
InChIKeyGNPDJEIHSSSQQQ-UHFFFAOYSA-N
MW240.26 g/mol
LogP-0.66
Rot. Bonds6

About 2-hydroxy-3-[(2-hydroxy-4-methoxyphenyl)methylamino]propanamide

2-hydroxy-3-[(2-hydroxy-4-methoxyphenyl)methylamino]propanamide (PubChem CID 106171414) has the molecular formula C11H16N2O4 and a molecular weight of 240.26 g/mol. Its IUPAC name is 2-hydroxy-3-[(2-hydroxy-4-methoxyphenyl)methylamino]propanamide.

Molecular Properties

Compound Name2-hydroxy-3-[(2-hydroxy-4-methoxyphenyl)methylamino]propanamide
PubChem CID106171414
Molecular FormulaC11H16N2O4
Molecular Weight240.26 g/mol
Exact Mass240.11
IUPAC Name2-hydroxy-3-[(2-hydroxy-4-methoxyphenyl)methylamino]propanamide
SMILESCOc1ccc(CNCC(O)C(N)=O)c(O)c1
InChIInChI=1S/C11H16N2O4/c1-17-8-3-2-7(9(14)4-8)5-13-6-10(15)11(12)16/h2-4,10,13-15H,5-6H2,1H3,(H2,12,16)
InChIKeyGNPDJEIHSSSQQQ-UHFFFAOYSA-N
XLogP-0.66
TPSA104.81 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.26
LogP ≤ 5-0.66
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}

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Related Compounds

2-hydroxy-3-[(4-methoxyphenyl)methylamino]propanamide
CID 106170843
2-(ethylaminomethyl)-5-methoxyphenol
CID 39257600
N-(3-amino-2-hydroxy-3-oxopropyl)-2-hydroxy-4-methoxybenzamide
CID 107261323
2-[[(2-hydroxy-3-phenylpropyl)amino]methyl]-5-methoxyphenol
CID 111104741
2-[[(2-cyclopropyl-2-hydroxyethyl)amino]methyl]-5-methoxyphenol
CID 63298601
(2S)-N'-[(2-hydroxy-4-methoxyphenyl)methyl]-2-methylbutanediamide
CID 173193675
2-[(2-ethoxypropylamino)methyl]-5-methoxyphenol
CID 115655741
2-[(2-aminoethylamino)methyl]-5-methoxyphenol
CID 61261958
2-[(2-hydroxy-4-methoxyphenyl)methylamino]propanoic acid
CID 61499464
(2S)-2-[(2-hydroxy-4-methoxyphenyl)methylamino]propanoic acid
CID 11096269
N-[(2-hydroxy-4-methoxyphenyl)methyl]acetamide
CID 89189876
2-[(4-hydroxybutylamino)methyl]-5-methoxyphenol
CID 106840604

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-3-[(2-hydroxy-4-methoxyphenyl)methylamino]propanamide?
The IUPAC name of 2-hydroxy-3-[(2-hydroxy-4-methoxyphenyl)methylamino]propanamide (CID 106171414) is 2-hydroxy-3-[(2-hydroxy-4-methoxyphenyl)methylamino]propanamide.
What is the SMILES notation for 2-hydroxy-3-[(2-hydroxy-4-methoxyphenyl)methylamino]propanamide?
The canonical SMILES for 2-hydroxy-3-[(2-hydroxy-4-methoxyphenyl)methylamino]propanamide is COc1ccc(CNCC(O)C(N)=O)c(O)c1.
What is the InChIKey of 2-hydroxy-3-[(2-hydroxy-4-methoxyphenyl)methylamino]propanamide?
The InChIKey is GNPDJEIHSSSQQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O4/c1-17-8-3-2-7(9(14)4-8)5-13-6-10(15)11(12)16/h2-4,10,13-15H,5-6H2,1H3,(H2,12,16).
What are the key properties of 2-hydroxy-3-[(2-hydroxy-4-methoxyphenyl)methylamino]propanamide?
2-hydroxy-3-[(2-hydroxy-4-methoxyphenyl)methylamino]propanamide has a molecular weight of 240.26 g/mol, XLogP of -0.66, 6 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-3-[(2-hydroxy-4-methoxyphenyl)methylamino]propanamide is sourced from PubChem (CID 106171414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).