N-hydroxy-2-[(2-hydroxy-3-nitrophenyl)methylamino]acetamide

C9H11N3O5 — CID 91196196

IUPACN-hydroxy-2-[(2-hydroxy-3-nitrophenyl)methylamino]acetamide
SMILESO=C(CNCc1cccc([N+](=O)[O-])c1O)NO
InChIInChI=1S/C9H11N3O5/c13-8(11-15)5-10-4-6-2-1-3-7(9(6)14)12(16)17/h1-3,10,14-15H,4-5H2,(H,11,13)
InChIKeyLKXIYHQOWPYZIL-UHFFFAOYSA-N
MW241.20 g/mol
LogP-0.10
Rot. Bonds5

About N-hydroxy-2-[(2-hydroxy-3-nitrophenyl)methylamino]acetamide

N-hydroxy-2-[(2-hydroxy-3-nitrophenyl)methylamino]acetamide (PubChem CID 91196196) has the molecular formula C9H11N3O5 and a molecular weight of 241.20 g/mol. Its IUPAC name is N-hydroxy-2-[(2-hydroxy-3-nitrophenyl)methylamino]acetamide.

Molecular Properties

Compound NameN-hydroxy-2-[(2-hydroxy-3-nitrophenyl)methylamino]acetamide
PubChem CID91196196
Molecular FormulaC9H11N3O5
Molecular Weight241.20 g/mol
Exact Mass241.07
IUPAC NameN-hydroxy-2-[(2-hydroxy-3-nitrophenyl)methylamino]acetamide
SMILESO=C(CNCc1cccc([N+](=O)[O-])c1O)NO
InChIInChI=1S/C9H11N3O5/c13-8(11-15)5-10-4-6-2-1-3-7(9(6)14)12(16)17/h1-3,10,14-15H,4-5H2,(H,11,13)
InChIKeyLKXIYHQOWPYZIL-UHFFFAOYSA-N
XLogP-0.10
TPSA124.73 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.20
LogP ≤ 5-0.10
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}, {'alert_name': 'hydroxamic_acid', '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-nitro-6-(propylaminomethyl)phenol
CID 138521206
2-hydroxy-N-[(2-hydroxy-3-nitrophenyl)methyl]acetamide
CID 145093020
2-[(2-bromo-3-nitrophenyl)methylamino]-N-ethylacetamide
CID 114048733
(2S,3R)-N,3-dihydroxy-2-[(2-hydroxy-3-nitrophenyl)methylamino]butanamide
CID 91539690
2-[(2-fluoro-3-nitrophenyl)methylamino]acetic acid
CID 107350087
2-(naphthalen-1-ylmethylamino)-N-(2-nitrophenyl)acetamide
CID 5115810
2-[(2-fluoro-3-nitrophenyl)methylamino]-N-propylacetamide
CID 107348960
N-cyclopropyl-2-[(2-fluoro-3-nitrophenyl)methylamino]acetamide
CID 107348962
2-[[(2-ethoxy-2-oxoethyl)amino]methyl]-6-nitrobenzoic acid
CID 103239583
2-[(2-nitrophenyl)methylamino]-N-(oxan-4-yl)acetamide
CID 63099902
N-[(2-methyl-3-nitrophenyl)methyl]ethanamine
CID 22170308
2-[[2-(2-nitrophenyl)ethylamino]methyl]phenol
CID 115656030

Frequently Asked Questions

What is the IUPAC name of N-hydroxy-2-[(2-hydroxy-3-nitrophenyl)methylamino]acetamide?
The IUPAC name of N-hydroxy-2-[(2-hydroxy-3-nitrophenyl)methylamino]acetamide (CID 91196196) is N-hydroxy-2-[(2-hydroxy-3-nitrophenyl)methylamino]acetamide.
What is the SMILES notation for N-hydroxy-2-[(2-hydroxy-3-nitrophenyl)methylamino]acetamide?
The canonical SMILES for N-hydroxy-2-[(2-hydroxy-3-nitrophenyl)methylamino]acetamide is O=C(CNCc1cccc([N+](=O)[O-])c1O)NO.
What is the InChIKey of N-hydroxy-2-[(2-hydroxy-3-nitrophenyl)methylamino]acetamide?
The InChIKey is LKXIYHQOWPYZIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11N3O5/c13-8(11-15)5-10-4-6-2-1-3-7(9(6)14)12(16)17/h1-3,10,14-15H,4-5H2,(H,11,13).
What are the key properties of N-hydroxy-2-[(2-hydroxy-3-nitrophenyl)methylamino]acetamide?
N-hydroxy-2-[(2-hydroxy-3-nitrophenyl)methylamino]acetamide has a molecular weight of 241.20 g/mol, XLogP of -0.10, 5 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-hydroxy-2-[(2-hydroxy-3-nitrophenyl)methylamino]acetamide is sourced from PubChem (CID 91196196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).