2-(azetidin-3-yl)-N-(4-hydroxy-2-nitrophenyl)acetamide

C11H13N3O4 — CID 64616370

IUPAC2-(azetidin-3-yl)-N-(4-hydroxy-2-nitrophenyl)acetamide
SMILESO=C(CC1CNC1)Nc1ccc(O)cc1[N+](=O)[O-]
InChIInChI=1S/C11H13N3O4/c15-8-1-2-9(10(4-8)14(17)18)13-11(16)3-7-5-12-6-7/h1-2,4,7,12,15H,3,5-6H2,(H,13,16)
InChIKeyBVQMSVGDGBSYEP-UHFFFAOYSA-N
MW251.24 g/mol
LogP0.85
Rot. Bonds4

About 2-(azetidin-3-yl)-N-(4-hydroxy-2-nitrophenyl)acetamide

2-(azetidin-3-yl)-N-(4-hydroxy-2-nitrophenyl)acetamide (PubChem CID 64616370) has the molecular formula C11H13N3O4 and a molecular weight of 251.24 g/mol. Its IUPAC name is 2-(azetidin-3-yl)-N-(4-hydroxy-2-nitrophenyl)acetamide.

Molecular Properties

Compound Name2-(azetidin-3-yl)-N-(4-hydroxy-2-nitrophenyl)acetamide
PubChem CID64616370
Molecular FormulaC11H13N3O4
Molecular Weight251.24 g/mol
Exact Mass251.09
IUPAC Name2-(azetidin-3-yl)-N-(4-hydroxy-2-nitrophenyl)acetamide
SMILESO=C(CC1CNC1)Nc1ccc(O)cc1[N+](=O)[O-]
InChIInChI=1S/C11H13N3O4/c15-8-1-2-9(10(4-8)14(17)18)13-11(16)3-7-5-12-6-7/h1-2,4,7,12,15H,3,5-6H2,(H,13,16)
InChIKeyBVQMSVGDGBSYEP-UHFFFAOYSA-N
XLogP0.85
TPSA104.50 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.24
LogP ≤ 50.85
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 2-(azetidin-3-yl)-N-(4-hydroxy-2-nitrophenyl)acetamide 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-(azetidin-3-yl)-N-(4-fluoro-2-nitrophenyl)acetamide
CID 64615986
N-(4-bromo-2-nitrophenyl)-2-piperidin-3-ylacetamide
CID 62674890
N-(4-hydroxy-2-nitrophenyl)-2-piperidin-4-ylsulfanylacetamide
CID 114626685
3-(ethylamino)-N-(4-hydroxy-2-nitrophenyl)propanamide
CID 62832870
2-[1-(aminomethyl)cyclobutyl]-N-(4-hydroxy-2-nitrophenyl)acetamide
CID 81179530
5-bromo-N-(4-hydroxy-2-nitrophenyl)pentanamide
CID 107908520
N-(4-hydroxy-2-nitrophenyl)-2-[(2-methylpropan-2-yl)oxy]acetamide
CID 112604610
N-(2-hydroxy-6-nitrophenyl)-2-pyrrolidin-3-ylacetamide
CID 107680976
2-(2-aminoethoxy)-N-(4-hydroxy-2-nitrophenyl)acetamide
CID 79473716
N-(4-hydroxy-2-nitrophenyl)-2-propoxyacetamide
CID 114018733
N-(4,5-dimethyl-2-nitrophenyl)-2-piperidin-4-ylacetamide
CID 62098447
N-(4-bromo-2-nitrophenyl)-3-piperidin-4-ylpropanamide
CID 62211932

Frequently Asked Questions

What is the IUPAC name of 2-(azetidin-3-yl)-N-(4-hydroxy-2-nitrophenyl)acetamide?
The IUPAC name of 2-(azetidin-3-yl)-N-(4-hydroxy-2-nitrophenyl)acetamide (CID 64616370) is 2-(azetidin-3-yl)-N-(4-hydroxy-2-nitrophenyl)acetamide.
What is the SMILES notation for 2-(azetidin-3-yl)-N-(4-hydroxy-2-nitrophenyl)acetamide?
The canonical SMILES for 2-(azetidin-3-yl)-N-(4-hydroxy-2-nitrophenyl)acetamide is O=C(CC1CNC1)Nc1ccc(O)cc1[N+](=O)[O-].
What is the InChIKey of 2-(azetidin-3-yl)-N-(4-hydroxy-2-nitrophenyl)acetamide?
The InChIKey is BVQMSVGDGBSYEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3O4/c15-8-1-2-9(10(4-8)14(17)18)13-11(16)3-7-5-12-6-7/h1-2,4,7,12,15H,3,5-6H2,(H,13,16).
What are the key properties of 2-(azetidin-3-yl)-N-(4-hydroxy-2-nitrophenyl)acetamide?
2-(azetidin-3-yl)-N-(4-hydroxy-2-nitrophenyl)acetamide has a molecular weight of 251.24 g/mol, XLogP of 0.85, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(azetidin-3-yl)-N-(4-hydroxy-2-nitrophenyl)acetamide is sourced from PubChem (CID 64616370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).