3-amino-N-(2-hydroxy-5-nitrophenyl)propanamide

C9H11N3O4 — CID 107744574

IUPAC3-amino-N-(2-hydroxy-5-nitrophenyl)propanamide
SMILESNCCC(=O)Nc1cc([N+](=O)[O-])ccc1O
InChIInChI=1S/C9H11N3O4/c10-4-3-9(14)11-7-5-6(12(15)16)1-2-8(7)13/h1-2,5,13H,3-4,10H2,(H,11,14)
InChIKeyBYDUCMIFYIWYSX-UHFFFAOYSA-N
MW225.20 g/mol
LogP0.59
Rot. Bonds4

About 3-amino-N-(2-hydroxy-5-nitrophenyl)propanamide

3-amino-N-(2-hydroxy-5-nitrophenyl)propanamide (PubChem CID 107744574) has the molecular formula C9H11N3O4 and a molecular weight of 225.20 g/mol. Its IUPAC name is 3-amino-N-(2-hydroxy-5-nitrophenyl)propanamide.

Molecular Properties

Compound Name3-amino-N-(2-hydroxy-5-nitrophenyl)propanamide
PubChem CID107744574
Molecular FormulaC9H11N3O4
Molecular Weight225.20 g/mol
Exact Mass225.07
IUPAC Name3-amino-N-(2-hydroxy-5-nitrophenyl)propanamide
SMILESNCCC(=O)Nc1cc([N+](=O)[O-])ccc1O
InChIInChI=1S/C9H11N3O4/c10-4-3-9(14)11-7-5-6(12(15)16)1-2-8(7)13/h1-2,5,13H,3-4,10H2,(H,11,14)
InChIKeyBYDUCMIFYIWYSX-UHFFFAOYSA-N
XLogP0.59
TPSA118.49 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.20
LogP ≤ 50.59
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'catechol', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

5-(2-hydroxy-5-nitroanilino)-5-oxopentanoic acid
CID 3546109
2-bromo-N-(2-hydroxy-5-nitrophenyl)acetamide
CID 4089912
3-amino-N-(2-methyl-4-nitrophenyl)propanamide
CID 43424697
2-(2-fluorophenyl)-N-(2-hydroxy-5-nitrophenyl)acetamide
CID 103602366
2-(4-chlorophenyl)-N-(2-hydroxy-5-nitrophenyl)acetamide
CID 4639208
5-amino-N-(2-hydroxy-4-nitrophenyl)pentanamide
CID 107744274
N-(2-hydroxy-5-nitrophenyl)-3-(4-methylphenyl)propanamide
CID 17342552
2-cyclopropyl-N-(2-hydroxy-5-nitrophenyl)acetamide
CID 113347528
N-(2-hydroxy-5-nitrophenyl)-3-(2,2,2-trifluoroethoxy)propanamide
CID 97065932
2-(2,4-dichlorophenyl)-N-(2-hydroxy-5-nitrophenyl)acetamide
CID 112771738
N-(2-hydroxy-5-nitrophenyl)-2-(3-methylphenyl)acetamide
CID 103863285
2-(3-bromophenyl)-N-(2-hydroxy-5-nitrophenyl)acetamide
CID 103894337

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(2-hydroxy-5-nitrophenyl)propanamide?
The IUPAC name of 3-amino-N-(2-hydroxy-5-nitrophenyl)propanamide (CID 107744574) is 3-amino-N-(2-hydroxy-5-nitrophenyl)propanamide.
What is the SMILES notation for 3-amino-N-(2-hydroxy-5-nitrophenyl)propanamide?
The canonical SMILES for 3-amino-N-(2-hydroxy-5-nitrophenyl)propanamide is NCCC(=O)Nc1cc([N+](=O)[O-])ccc1O.
What is the InChIKey of 3-amino-N-(2-hydroxy-5-nitrophenyl)propanamide?
The InChIKey is BYDUCMIFYIWYSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11N3O4/c10-4-3-9(14)11-7-5-6(12(15)16)1-2-8(7)13/h1-2,5,13H,3-4,10H2,(H,11,14).
What are the key properties of 3-amino-N-(2-hydroxy-5-nitrophenyl)propanamide?
3-amino-N-(2-hydroxy-5-nitrophenyl)propanamide has a molecular weight of 225.20 g/mol, XLogP of 0.59, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-(2-hydroxy-5-nitrophenyl)propanamide is sourced from PubChem (CID 107744574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).