N-(3-amino-2-hydroxy-5-nitrophenyl)propanamide

C9H11N3O4 — CID 54398784

IUPACN-(3-amino-2-hydroxy-5-nitrophenyl)propanamide
SMILESCCC(=O)Nc1cc([N+](=O)[O-])cc(N)c1O
InChIInChI=1S/C9H11N3O4/c1-2-8(13)11-7-4-5(12(15)16)3-6(10)9(7)14/h3-4,14H,2,10H2,1H3,(H,11,13)
InChIKeyVLXMDUNXSGCXGH-UHFFFAOYSA-N
MW225.20 g/mol
LogP1.23
Rot. Bonds3

About N-(3-amino-2-hydroxy-5-nitrophenyl)propanamide

N-(3-amino-2-hydroxy-5-nitrophenyl)propanamide (PubChem CID 54398784) has the molecular formula C9H11N3O4 and a molecular weight of 225.20 g/mol. Its IUPAC name is N-(3-amino-2-hydroxy-5-nitrophenyl)propanamide.

Molecular Properties

Compound NameN-(3-amino-2-hydroxy-5-nitrophenyl)propanamide
PubChem CID54398784
Molecular FormulaC9H11N3O4
Molecular Weight225.20 g/mol
Exact Mass225.07
IUPAC NameN-(3-amino-2-hydroxy-5-nitrophenyl)propanamide
SMILESCCC(=O)Nc1cc([N+](=O)[O-])cc(N)c1O
InChIInChI=1S/C9H11N3O4/c1-2-8(13)11-7-4-5(12(15)16)3-6(10)9(7)14/h3-4,14H,2,10H2,1H3,(H,11,13)
InChIKeyVLXMDUNXSGCXGH-UHFFFAOYSA-N
XLogP1.23
TPSA118.49 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.20
LogP ≤ 51.23
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'catechol', '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

N-(2-chloro-5-nitrophenyl)propanamide
CID 4280315
N-[2-(ethylamino)-5-nitrophenyl]propanamide
CID 71408638
calcium bis(2-acetamido-6-amino-4-nitrophenolate)
CID 102438423
N-(3-hydroxy-5-nitro-2-pyridinyl)propanamide
CID 110495915
N-(3-fluoro-5-nitrophenyl)propanamide
CID 107335364
CID 45157719
CID 45157719
N-(2-amino-4,5-dimethylphenyl)propanamide
CID 28691521
[2-(2,6-dibromo-4-nitroanilino)-2-oxoethyl] propanoate
CID 7851463
3-amino-N-(2-hydroxy-5-nitrophenyl)propanamide
CID 107744574
2-amino-4-nitrophenol;ethanol
CID 174857010
potassium 3-amino-2-hydroxy-5-nitrobenzenesulfonate
CID 101305477
N-[2-chloro-5-(propanoylamino)phenyl]-3,5-dinitrobenzamide
CID 55799201

Frequently Asked Questions

What is the IUPAC name of N-(3-amino-2-hydroxy-5-nitrophenyl)propanamide?
The IUPAC name of N-(3-amino-2-hydroxy-5-nitrophenyl)propanamide (CID 54398784) is N-(3-amino-2-hydroxy-5-nitrophenyl)propanamide.
What is the SMILES notation for N-(3-amino-2-hydroxy-5-nitrophenyl)propanamide?
The canonical SMILES for N-(3-amino-2-hydroxy-5-nitrophenyl)propanamide is CCC(=O)Nc1cc([N+](=O)[O-])cc(N)c1O.
What is the InChIKey of N-(3-amino-2-hydroxy-5-nitrophenyl)propanamide?
The InChIKey is VLXMDUNXSGCXGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11N3O4/c1-2-8(13)11-7-4-5(12(15)16)3-6(10)9(7)14/h3-4,14H,2,10H2,1H3,(H,11,13).
What are the key properties of N-(3-amino-2-hydroxy-5-nitrophenyl)propanamide?
N-(3-amino-2-hydroxy-5-nitrophenyl)propanamide has a molecular weight of 225.20 g/mol, XLogP of 1.23, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-amino-2-hydroxy-5-nitrophenyl)propanamide is sourced from PubChem (CID 54398784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).