N-hydroxy-3-[[2-(4-nitrophenyl)acetyl]amino]propanamide

C11H13N3O5 — CID 70697399

IUPACN-hydroxy-3-[[2-(4-nitrophenyl)acetyl]amino]propanamide
SMILESO=C(CCNC(=O)Cc1ccc([N+](=O)[O-])cc1)NO
InChIInChI=1S/C11H13N3O5/c15-10(13-17)5-6-12-11(16)7-8-1-3-9(4-2-8)14(18)19/h1-4,17H,5-7H2,(H,12,16)(H,13,15)
InChIKeyGMCWAEVBSXVXFG-UHFFFAOYSA-N
MW267.24 g/mol
LogP0.15
Rot. Bonds6

About N-hydroxy-3-[[2-(4-nitrophenyl)acetyl]amino]propanamide

N-hydroxy-3-[[2-(4-nitrophenyl)acetyl]amino]propanamide (PubChem CID 70697399) has the molecular formula C11H13N3O5 and a molecular weight of 267.24 g/mol. Its IUPAC name is N-hydroxy-3-[[2-(4-nitrophenyl)acetyl]amino]propanamide.

Molecular Properties

Compound NameN-hydroxy-3-[[2-(4-nitrophenyl)acetyl]amino]propanamide
PubChem CID70697399
Molecular FormulaC11H13N3O5
Molecular Weight267.24 g/mol
Exact Mass267.09
IUPAC NameN-hydroxy-3-[[2-(4-nitrophenyl)acetyl]amino]propanamide
SMILESO=C(CCNC(=O)Cc1ccc([N+](=O)[O-])cc1)NO
InChIInChI=1S/C11H13N3O5/c15-10(13-17)5-6-12-11(16)7-8-1-3-9(4-2-8)14(18)19/h1-4,17H,5-7H2,(H,12,16)(H,13,15)
InChIKeyGMCWAEVBSXVXFG-UHFFFAOYSA-N
XLogP0.15
TPSA121.57 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.24
LogP ≤ 50.15
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'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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Frequently Asked Questions

What is the IUPAC name of N-hydroxy-3-[[2-(4-nitrophenyl)acetyl]amino]propanamide?
The IUPAC name of N-hydroxy-3-[[2-(4-nitrophenyl)acetyl]amino]propanamide (CID 70697399) is N-hydroxy-3-[[2-(4-nitrophenyl)acetyl]amino]propanamide.
What is the SMILES notation for N-hydroxy-3-[[2-(4-nitrophenyl)acetyl]amino]propanamide?
The canonical SMILES for N-hydroxy-3-[[2-(4-nitrophenyl)acetyl]amino]propanamide is O=C(CCNC(=O)Cc1ccc([N+](=O)[O-])cc1)NO.
What is the InChIKey of N-hydroxy-3-[[2-(4-nitrophenyl)acetyl]amino]propanamide?
The InChIKey is GMCWAEVBSXVXFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3O5/c15-10(13-17)5-6-12-11(16)7-8-1-3-9(4-2-8)14(18)19/h1-4,17H,5-7H2,(H,12,16)(H,13,15).
What are the key properties of N-hydroxy-3-[[2-(4-nitrophenyl)acetyl]amino]propanamide?
N-hydroxy-3-[[2-(4-nitrophenyl)acetyl]amino]propanamide has a molecular weight of 267.24 g/mol, XLogP of 0.15, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-hydroxy-3-[[2-(4-nitrophenyl)acetyl]amino]propanamide is sourced from PubChem (CID 70697399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).