phosphanyl 2-[(2-nitrobenzoyl)amino]acetate

C9H9N2O5P — CID 59519000

IUPACphosphanyl 2-[(2-nitrobenzoyl)amino]acetate
SMILESO=C(CNC(=O)c1ccccc1[N+](=O)[O-])OP
InChIInChI=1S/C9H9N2O5P/c12-8(16-17)5-10-9(13)6-3-1-2-4-7(6)11(14)15/h1-4H,5,17H2,(H,10,13)
InChIKeyPEEPBGRUSWZJPK-UHFFFAOYSA-N
MW256.15 g/mol
LogP0.66
Rot. Bonds4

About phosphanyl 2-[(2-nitrobenzoyl)amino]acetate

phosphanyl 2-[(2-nitrobenzoyl)amino]acetate (PubChem CID 59519000) has the molecular formula C9H9N2O5P and a molecular weight of 256.15 g/mol. Its IUPAC name is phosphanyl 2-[(2-nitrobenzoyl)amino]acetate.

Molecular Properties

Compound Namephosphanyl 2-[(2-nitrobenzoyl)amino]acetate
PubChem CID59519000
Molecular FormulaC9H9N2O5P
Molecular Weight256.15 g/mol
Exact Mass256.02
IUPAC Namephosphanyl 2-[(2-nitrobenzoyl)amino]acetate
SMILESO=C(CNC(=O)c1ccccc1[N+](=O)[O-])OP
InChIInChI=1S/C9H9N2O5P/c12-8(16-17)5-10-9(13)6-3-1-2-4-7(6)11(14)15/h1-4H,5,17H2,(H,10,13)
InChIKeyPEEPBGRUSWZJPK-UHFFFAOYSA-N
XLogP0.66
TPSA98.54 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.15
LogP ≤ 50.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze phosphanyl 2-[(2-nitrobenzoyl)amino]acetate 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

N-(3,3-dimethyl-2-oxobutyl)-2-nitrobenzamide
CID 64991410
N-(cyanomethyl)-2-nitrobenzamide
CID 2227427
N-(2-bromo-2-phenylethyl)-2-nitrobenzamide
CID 114308249
methyl 6-[(2-nitrobenzoyl)amino]hexanoate
CID 31839179
N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-2-nitrobenzamide
CID 107845705
N-(3-chloropropyl)-2-nitrobenzamide
CID 3113440
N-(3-iodopropyl)-2-nitrobenzamide
CID 114504241
N-[2-(ethylamino)ethyl]-2-nitrobenzamide
CID 62658043
N-[2-(dimethylamino)ethyl]-2-nitrobenzamide
CID 15287848
N-[(4-bromophenyl)methyl]-2-nitrobenzamide
CID 60582772
2-nitro-N-[(2R)-2-phenylpropyl]benzamide
CID 679490
N-[(2-fluorophenyl)methyl]-2-nitrobenzamide
CID 7924688

Frequently Asked Questions

What is the IUPAC name of phosphanyl 2-[(2-nitrobenzoyl)amino]acetate?
The IUPAC name of phosphanyl 2-[(2-nitrobenzoyl)amino]acetate (CID 59519000) is phosphanyl 2-[(2-nitrobenzoyl)amino]acetate.
What is the SMILES notation for phosphanyl 2-[(2-nitrobenzoyl)amino]acetate?
The canonical SMILES for phosphanyl 2-[(2-nitrobenzoyl)amino]acetate is O=C(CNC(=O)c1ccccc1[N+](=O)[O-])OP.
What is the InChIKey of phosphanyl 2-[(2-nitrobenzoyl)amino]acetate?
The InChIKey is PEEPBGRUSWZJPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9N2O5P/c12-8(16-17)5-10-9(13)6-3-1-2-4-7(6)11(14)15/h1-4H,5,17H2,(H,10,13).
What are the key properties of phosphanyl 2-[(2-nitrobenzoyl)amino]acetate?
phosphanyl 2-[(2-nitrobenzoyl)amino]acetate has a molecular weight of 256.15 g/mol, XLogP of 0.66, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for phosphanyl 2-[(2-nitrobenzoyl)amino]acetate is sourced from PubChem (CID 59519000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).