2-amino-3-(2-nitrophenyl)propanamide

C9H11N3O3 — CID 64990482

IUPAC2-amino-3-(2-nitrophenyl)propanamide
SMILESNC(=O)C(N)Cc1ccccc1[N+](=O)[O-]
InChIInChI=1S/C9H11N3O3/c10-7(9(11)13)5-6-3-1-2-4-8(6)12(14)15/h1-4,7H,5,10H2,(H2,11,13)
InChIKeyKCOHQTACASXWAU-UHFFFAOYSA-N
MW209.21 g/mol
LogP-0.05
Rot. Bonds4

About 2-amino-3-(2-nitrophenyl)propanamide

2-amino-3-(2-nitrophenyl)propanamide (PubChem CID 64990482) has the molecular formula C9H11N3O3 and a molecular weight of 209.21 g/mol. Its IUPAC name is 2-amino-3-(2-nitrophenyl)propanamide.

Molecular Properties

Compound Name2-amino-3-(2-nitrophenyl)propanamide
PubChem CID64990482
Molecular FormulaC9H11N3O3
Molecular Weight209.21 g/mol
Exact Mass209.08
IUPAC Name2-amino-3-(2-nitrophenyl)propanamide
SMILESNC(=O)C(N)Cc1ccccc1[N+](=O)[O-]
InChIInChI=1S/C9H11N3O3/c10-7(9(11)13)5-6-3-1-2-4-8(6)12(14)15/h1-4,7H,5,10H2,(H2,11,13)
InChIKeyKCOHQTACASXWAU-UHFFFAOYSA-N
XLogP-0.05
TPSA112.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.21
LogP ≤ 5-0.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-amino-3-(2-methyl-3-nitrophenyl)propanamide
CID 64990652
methyl (2S)-2-amino-3-(2-nitrophenyl)propanoate;hydrochloride
CID 67675952
2-amino-3-(2,4-dinitrophenyl)propanamide
CID 66222854
1,2-bis(2-nitrophenyl)ethanamine
CID 145318541
(2S)-2-azaniumyl-3-(2-nitrophenyl)propanoate
CID 6992717
1-(2,2-dibromoethyl)-2-nitrobenzene
CID 3803942
1-(2,2-difluoroethyl)-2-nitrobenzene
CID 142566464
(2S)-2-amino-3-[2-(2-nitrophenyl)sulfanylphenyl]propanoic acid
CID 91873682
(2-nitrophenyl)methyl carbamate
CID 21490181
1-(2-fluorophenyl)-3-(2-nitrophenyl)propan-2-amine
CID 65017800
(2R)-2-amino-3-(2-fluoro-3-nitrophenyl)propanoic acid
CID 103852447
2-amino-4-(2-nitrophenyl)sulfanylbutanamide
CID 55143582

Frequently Asked Questions

What is the IUPAC name of 2-amino-3-(2-nitrophenyl)propanamide?
The IUPAC name of 2-amino-3-(2-nitrophenyl)propanamide (CID 64990482) is 2-amino-3-(2-nitrophenyl)propanamide.
What is the SMILES notation for 2-amino-3-(2-nitrophenyl)propanamide?
The canonical SMILES for 2-amino-3-(2-nitrophenyl)propanamide is NC(=O)C(N)Cc1ccccc1[N+](=O)[O-].
What is the InChIKey of 2-amino-3-(2-nitrophenyl)propanamide?
The InChIKey is KCOHQTACASXWAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11N3O3/c10-7(9(11)13)5-6-3-1-2-4-8(6)12(14)15/h1-4,7H,5,10H2,(H2,11,13).
What are the key properties of 2-amino-3-(2-nitrophenyl)propanamide?
2-amino-3-(2-nitrophenyl)propanamide has a molecular weight of 209.21 g/mol, XLogP of -0.05, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-(2-nitrophenyl)propanamide is sourced from PubChem (CID 64990482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).