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

C11H13N3O5 — CID 107261265

IUPAC2-hydroxy-3-[[2-(2-nitrophenyl)acetyl]amino]propanamide
SMILESNC(=O)C(O)CNC(=O)Cc1ccccc1[N+](=O)[O-]
InChIInChI=1S/C11H13N3O5/c12-11(17)9(15)6-13-10(16)5-7-3-1-2-4-8(7)14(18)19/h1-4,9,15H,5-6H2,(H2,12,17)(H,13,16)
InChIKeyDAOWIPIKKRKZGB-UHFFFAOYSA-N
MW267.24 g/mol
LogP-0.90
Rot. Bonds6

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

2-hydroxy-3-[[2-(2-nitrophenyl)acetyl]amino]propanamide (PubChem CID 107261265) has the molecular formula C11H13N3O5 and a molecular weight of 267.24 g/mol. Its IUPAC name is 2-hydroxy-3-[[2-(2-nitrophenyl)acetyl]amino]propanamide.

Molecular Properties

Compound Name2-hydroxy-3-[[2-(2-nitrophenyl)acetyl]amino]propanamide
PubChem CID107261265
Molecular FormulaC11H13N3O5
Molecular Weight267.24 g/mol
Exact Mass267.09
IUPAC Name2-hydroxy-3-[[2-(2-nitrophenyl)acetyl]amino]propanamide
SMILESNC(=O)C(O)CNC(=O)Cc1ccccc1[N+](=O)[O-]
InChIInChI=1S/C11H13N3O5/c12-11(17)9(15)6-13-10(16)5-7-3-1-2-4-8(7)14(18)19/h1-4,9,15H,5-6H2,(H2,12,17)(H,13,16)
InChIKeyDAOWIPIKKRKZGB-UHFFFAOYSA-N
XLogP-0.90
TPSA135.56 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 ≤ 5-0.90
H-Bond Donors ≤ 53
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'}

Analyze 2-hydroxy-3-[[2-(2-nitrophenyl)acetyl]amino]propanamide 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-[(2S)-2-hydroxypropyl]-2-(2-nitrophenyl)acetamide
CID 83030865
N-[(2R)-2-(dimethylamino)-2-phenylethyl]-2-(2-nitrophenyl)acetamide
CID 27230247
N-[(4-aminophenyl)methyl]-2-(2-nitrophenyl)acetamide
CID 116649980
N-[2-(methylamino)-2-oxoethoxy]-2-(2-nitrophenyl)acetamide
CID 110495684
2-(2-hydroxyphenyl)-N-[(2-nitrophenyl)methyl]acetamide
CID 24873981
N-(2-hydroxy-2-methylpropyl)-2-(2-nitrophenyl)acetamide
CID 65110200
N-(1-hydroxypropan-2-yl)-2-(2-nitrophenyl)acetamide
CID 43418816
N-[2-ethyl-2-(hydroxymethyl)butyl]-2-(2-nitrophenyl)acetamide
CID 103843631
2-amino-3-(2-nitrophenyl)propanamide
CID 64990482
(2-nitrophenyl)methyl 2,2-dihydroxyacetate
CID 70483540
2-(2-nitrophenyl)-N-pentan-3-ylacetamide
CID 884922
(2R)-2-amino-N-[(2-nitrophenyl)methyl]propanamide
CID 78979257

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-3-[[2-(2-nitrophenyl)acetyl]amino]propanamide?
The IUPAC name of 2-hydroxy-3-[[2-(2-nitrophenyl)acetyl]amino]propanamide (CID 107261265) is 2-hydroxy-3-[[2-(2-nitrophenyl)acetyl]amino]propanamide.
What is the SMILES notation for 2-hydroxy-3-[[2-(2-nitrophenyl)acetyl]amino]propanamide?
The canonical SMILES for 2-hydroxy-3-[[2-(2-nitrophenyl)acetyl]amino]propanamide is NC(=O)C(O)CNC(=O)Cc1ccccc1[N+](=O)[O-].
What is the InChIKey of 2-hydroxy-3-[[2-(2-nitrophenyl)acetyl]amino]propanamide?
The InChIKey is DAOWIPIKKRKZGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3O5/c12-11(17)9(15)6-13-10(16)5-7-3-1-2-4-8(7)14(18)19/h1-4,9,15H,5-6H2,(H2,12,17)(H,13,16).
What are the key properties of 2-hydroxy-3-[[2-(2-nitrophenyl)acetyl]amino]propanamide?
2-hydroxy-3-[[2-(2-nitrophenyl)acetyl]amino]propanamide has a molecular weight of 267.24 g/mol, XLogP of -0.90, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-3-[[2-(2-nitrophenyl)acetyl]amino]propanamide is sourced from PubChem (CID 107261265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).