2-(cyclopropylamino)-N-(2-hydroxy-5-nitrophenyl)acetamide

C11H13N3O4 — CID 107744629

IUPAC2-(cyclopropylamino)-N-(2-hydroxy-5-nitrophenyl)acetamide
SMILESO=C(CNC1CC1)Nc1cc([N+](=O)[O-])ccc1O
InChIInChI=1S/C11H13N3O4/c15-10-4-3-8(14(17)18)5-9(10)13-11(16)6-12-7-1-2-7/h3-5,7,12,15H,1-2,6H2,(H,13,16)
InChIKeyVWZCFIOTRZSXMU-UHFFFAOYSA-N
MW251.24 g/mol
LogP0.99
Rot. Bonds5

About 2-(cyclopropylamino)-N-(2-hydroxy-5-nitrophenyl)acetamide

2-(cyclopropylamino)-N-(2-hydroxy-5-nitrophenyl)acetamide (PubChem CID 107744629) has the molecular formula C11H13N3O4 and a molecular weight of 251.24 g/mol. Its IUPAC name is 2-(cyclopropylamino)-N-(2-hydroxy-5-nitrophenyl)acetamide.

Molecular Properties

Compound Name2-(cyclopropylamino)-N-(2-hydroxy-5-nitrophenyl)acetamide
PubChem CID107744629
Molecular FormulaC11H13N3O4
Molecular Weight251.24 g/mol
Exact Mass251.09
IUPAC Name2-(cyclopropylamino)-N-(2-hydroxy-5-nitrophenyl)acetamide
SMILESO=C(CNC1CC1)Nc1cc([N+](=O)[O-])ccc1O
InChIInChI=1S/C11H13N3O4/c15-10-4-3-8(14(17)18)5-9(10)13-11(16)6-12-7-1-2-7/h3-5,7,12,15H,1-2,6H2,(H,13,16)
InChIKeyVWZCFIOTRZSXMU-UHFFFAOYSA-N
XLogP0.99
TPSA104.50 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.24
LogP ≤ 50.99
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

2-cyclopropyl-N-(2-hydroxy-5-nitrophenyl)acetamide
CID 113347528
N-(2-chloro-5-nitrophenyl)-2-(cyclopentylamino)acetamide
CID 60648529
2-(cyclopentylamino)-N-(2,4-dinitrophenyl)acetamide
CID 17066729
N-(2-bromo-4-nitrophenyl)-2-(cyclopentylamino)acetamide
CID 60647189
2-bromo-N-(2-hydroxy-5-nitrophenyl)acetamide
CID 4089912
2-(cyclooctylamino)-N-(2-methoxy-5-nitrophenyl)acetamide
CID 9265449
3-amino-N-(2-hydroxy-5-nitrophenyl)propanamide
CID 107744574
N-(2-hydroxy-5-nitrophenyl)cyclopentanecarboxamide
CID 103602349
5-(2-hydroxy-5-nitroanilino)-5-oxopentanoic acid
CID 3546109
N-(2-hydroxy-5-nitrophenyl)-2,2,3,3-tetramethylcyclopropane-1-carboxamide
CID 5069648
2-(3,5-dimethylphenoxy)-N-(2-hydroxy-5-nitrophenyl)acetamide
CID 17342415
N-(2-hydroxy-5-nitrophenyl)oxane-4-carboxamide
CID 103604595

Frequently Asked Questions

What is the IUPAC name of 2-(cyclopropylamino)-N-(2-hydroxy-5-nitrophenyl)acetamide?
The IUPAC name of 2-(cyclopropylamino)-N-(2-hydroxy-5-nitrophenyl)acetamide (CID 107744629) is 2-(cyclopropylamino)-N-(2-hydroxy-5-nitrophenyl)acetamide.
What is the SMILES notation for 2-(cyclopropylamino)-N-(2-hydroxy-5-nitrophenyl)acetamide?
The canonical SMILES for 2-(cyclopropylamino)-N-(2-hydroxy-5-nitrophenyl)acetamide is O=C(CNC1CC1)Nc1cc([N+](=O)[O-])ccc1O.
What is the InChIKey of 2-(cyclopropylamino)-N-(2-hydroxy-5-nitrophenyl)acetamide?
The InChIKey is VWZCFIOTRZSXMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3O4/c15-10-4-3-8(14(17)18)5-9(10)13-11(16)6-12-7-1-2-7/h3-5,7,12,15H,1-2,6H2,(H,13,16).
What are the key properties of 2-(cyclopropylamino)-N-(2-hydroxy-5-nitrophenyl)acetamide?
2-(cyclopropylamino)-N-(2-hydroxy-5-nitrophenyl)acetamide has a molecular weight of 251.24 g/mol, XLogP of 0.99, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclopropylamino)-N-(2-hydroxy-5-nitrophenyl)acetamide is sourced from PubChem (CID 107744629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).