3-amino-N-(2,3-dihydroxyphenyl)propanamide

C9H12N2O3 — CID 91188626

IUPAC3-amino-N-(2,3-dihydroxyphenyl)propanamide
SMILESNCCC(=O)Nc1cccc(O)c1O
InChIInChI=1S/C9H12N2O3/c10-5-4-8(13)11-6-2-1-3-7(12)9(6)14/h1-3,12,14H,4-5,10H2,(H,11,13)
InChIKeySLRUJMOTVGRWRS-UHFFFAOYSA-N
MW196.21 g/mol
LogP0.39
Rot. Bonds3

About 3-amino-N-(2,3-dihydroxyphenyl)propanamide

3-amino-N-(2,3-dihydroxyphenyl)propanamide (PubChem CID 91188626) has the molecular formula C9H12N2O3 and a molecular weight of 196.21 g/mol. Its IUPAC name is 3-amino-N-(2,3-dihydroxyphenyl)propanamide.

Molecular Properties

Compound Name3-amino-N-(2,3-dihydroxyphenyl)propanamide
PubChem CID91188626
Molecular FormulaC9H12N2O3
Molecular Weight196.21 g/mol
Exact Mass196.08
IUPAC Name3-amino-N-(2,3-dihydroxyphenyl)propanamide
SMILESNCCC(=O)Nc1cccc(O)c1O
InChIInChI=1S/C9H12N2O3/c10-5-4-8(13)11-6-2-1-3-7(12)9(6)14/h1-3,12,14H,4-5,10H2,(H,11,13)
InChIKeySLRUJMOTVGRWRS-UHFFFAOYSA-N
XLogP0.39
TPSA95.58 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.21
LogP ≤ 50.39
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'catechol_A(92)', 'substructure': 'N/A'}, {'alert_name': 'catechol', 'substructure': 'N/A'}

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Related Compounds

2-(3-aminopropanoylamino)benzamide
CID 22692052
3-amino-N-(2-chlorophenyl)propanamide
CID 22692042
3-amino-N-(2-sulfamoylphenyl)propanamide
CID 10705385
3-amino-N-(3-chloro-2-fluorophenyl)propanamide
CID 28969296
3-amino-N-(2-cyano-3-fluorophenyl)propanamide
CID 43580751
4-(2-hydroxyanilino)-4-oxobutanoate
CID 3615801
N-[2-(3-aminopropanoylamino)phenyl]-4-phenoxybutanamide
CID 82034361
3-amino-N-(3-chloro-2-methoxyphenyl)propanamide
CID 119280772
3-amino-N-(4-hydroxyphenyl)propanamide
CID 43710647
2-(3-aminopropanoylamino)-5-hydroxybenzoic acid
CID 61405791
3-amino-N-(2-propan-2-ylphenyl)propanamide;hydrochloride
CID 71828995
3-amino-N-(2-methyl-3-pyridinyl)propanamide
CID 79042008

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(2,3-dihydroxyphenyl)propanamide?
The IUPAC name of 3-amino-N-(2,3-dihydroxyphenyl)propanamide (CID 91188626) is 3-amino-N-(2,3-dihydroxyphenyl)propanamide.
What is the SMILES notation for 3-amino-N-(2,3-dihydroxyphenyl)propanamide?
The canonical SMILES for 3-amino-N-(2,3-dihydroxyphenyl)propanamide is NCCC(=O)Nc1cccc(O)c1O.
What is the InChIKey of 3-amino-N-(2,3-dihydroxyphenyl)propanamide?
The InChIKey is SLRUJMOTVGRWRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N2O3/c10-5-4-8(13)11-6-2-1-3-7(12)9(6)14/h1-3,12,14H,4-5,10H2,(H,11,13).
What are the key properties of 3-amino-N-(2,3-dihydroxyphenyl)propanamide?
3-amino-N-(2,3-dihydroxyphenyl)propanamide has a molecular weight of 196.21 g/mol, XLogP of 0.39, 3 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-(2,3-dihydroxyphenyl)propanamide is sourced from PubChem (CID 91188626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).