3-(2-amino-4-methoxyphenyl)-2,3-dihydroxypropanamide

C10H14N2O4 — CID 171868281

IUPAC3-(2-amino-4-methoxyphenyl)-2,3-dihydroxypropanamide
SMILESCOc1ccc(C(O)C(O)C(N)=O)c(N)c1
InChIInChI=1S/C10H14N2O4/c1-16-5-2-3-6(7(11)4-5)8(13)9(14)10(12)15/h2-4,8-9,13-14H,11H2,1H3,(H2,12,15)
InChIKeyDWOJEZUTXGBCLB-UHFFFAOYSA-N
MW226.23 g/mol
LogP-0.84
Rot. Bonds4

About 3-(2-amino-4-methoxyphenyl)-2,3-dihydroxypropanamide

3-(2-amino-4-methoxyphenyl)-2,3-dihydroxypropanamide (PubChem CID 171868281) has the molecular formula C10H14N2O4 and a molecular weight of 226.23 g/mol. Its IUPAC name is 3-(2-amino-4-methoxyphenyl)-2,3-dihydroxypropanamide.

Molecular Properties

Compound Name3-(2-amino-4-methoxyphenyl)-2,3-dihydroxypropanamide
PubChem CID171868281
Molecular FormulaC10H14N2O4
Molecular Weight226.23 g/mol
Exact Mass226.10
IUPAC Name3-(2-amino-4-methoxyphenyl)-2,3-dihydroxypropanamide
SMILESCOc1ccc(C(O)C(O)C(N)=O)c(N)c1
InChIInChI=1S/C10H14N2O4/c1-16-5-2-3-6(7(11)4-5)8(13)9(14)10(12)15/h2-4,8-9,13-14H,11H2,1H3,(H2,12,15)
InChIKeyDWOJEZUTXGBCLB-UHFFFAOYSA-N
XLogP-0.84
TPSA118.80 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.23
LogP ≤ 5-0.84
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

Analyze 3-(2-amino-4-methoxyphenyl)-2,3-dihydroxypropanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2,3-dihydroxy-3-(2-hydroxy-4-methoxyphenyl)propanamide
CID 171868027
3-(2-bromo-5-methoxyphenyl)-2,3-dihydroxypropanamide
CID 171869396
N-[4-(2-amino-4-methoxyphenyl)-3,4-dihydroxybutyl]acetamide
CID 171883166
methyl 2,3-dihydroxy-3-[4-methoxy-2-(trifluoromethyl)phenyl]propanoate
CID 171865335
2,3-dihydroxy-3-(4-methoxy-2-methylphenyl)propanoic acid
CID 170823897
2-(1-iodoethyl)-5-methoxyaniline
CID 170370937
3-(2-chloro-4-methoxyphenyl)-2,3-dihydroxypropanoic acid
CID 170823843
3-(4-amino-2,3-dichlorophenyl)-2,3-dihydroxypropanamide
CID 171868242
1-(2-amino-5-methoxyphenyl)-2-methylpropan-1-ol
CID 105449197
2-[2-[(1R)-1-hydroxyethyl]-5-methoxyphenoxy]propanamide
CID 82001124
(2-amino-4-methoxyphenyl)-cyclohexylmethanol
CID 105496696
2-(1,2-dihydroxy-3-methoxy-3-oxopropyl)-4-methoxybenzoic acid
CID 171864667

Frequently Asked Questions

What is the IUPAC name of 3-(2-amino-4-methoxyphenyl)-2,3-dihydroxypropanamide?
The IUPAC name of 3-(2-amino-4-methoxyphenyl)-2,3-dihydroxypropanamide (CID 171868281) is 3-(2-amino-4-methoxyphenyl)-2,3-dihydroxypropanamide.
What is the SMILES notation for 3-(2-amino-4-methoxyphenyl)-2,3-dihydroxypropanamide?
The canonical SMILES for 3-(2-amino-4-methoxyphenyl)-2,3-dihydroxypropanamide is COc1ccc(C(O)C(O)C(N)=O)c(N)c1.
What is the InChIKey of 3-(2-amino-4-methoxyphenyl)-2,3-dihydroxypropanamide?
The InChIKey is DWOJEZUTXGBCLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O4/c1-16-5-2-3-6(7(11)4-5)8(13)9(14)10(12)15/h2-4,8-9,13-14H,11H2,1H3,(H2,12,15).
What are the key properties of 3-(2-amino-4-methoxyphenyl)-2,3-dihydroxypropanamide?
3-(2-amino-4-methoxyphenyl)-2,3-dihydroxypropanamide has a molecular weight of 226.23 g/mol, XLogP of -0.84, 4 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-amino-4-methoxyphenyl)-2,3-dihydroxypropanamide is sourced from PubChem (CID 171868281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).